2-(3-Methoxyphenyl)oxirane
PubChem CID
97903
Structure
Molecular Formula
Synonyms
- 2-(3-Methoxyphenyl)oxirane
- 32017-77-9
- 1-(Epoxyethyl)-3-methoxybenzene
- m-Methoxystyrene oxide
- 3-Methoxystyrene oxide
Molecular Weight
150.17 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-26
- Modify:2024-12-28
Chemical Structure Depiction
2-(3-methoxyphenyl)oxirane
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C9H10O2/c1-10-8-4-2-3-7(5-8)9-6-11-9/h2-5,9H,6H2,1H3
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
IJUUWUSPXYGGKY-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
COC1=CC=CC(=C1)C2CO2
Computed by OEChem 2.3.0 (PubChem release 2021.10.14)
C9H10O2
Computed by PubChem 2.2 (PubChem release 2021.10.14)
- 2-(3-Methoxyphenyl)oxirane
- 32017-77-9
- 1-(Epoxyethyl)-3-methoxybenzene
- m-Methoxystyrene oxide
- 3-Methoxystyrene oxide
- Oxirane, (3-methoxyphenyl)-
- Benzene, 1-(epoxyethyl)-3-methoxy-
- (3-methoxyphenyl)oxirane
- NSC55876
- NSC-55876
- 7ER773919C
- m-Methoxy styrene oxide
- Anisole, m-(epoxyethyl)-
- 2-(M-METHOXYPHENYL)OXIRANE
- NSC 55876
- SCHEMBL936624
- UNII-7ER773919C
- IJUUWUSPXYGGKY-UHFFFAOYSA-N
- DTXSID401311048
- Methyl 3-(2-oxiranyl)phenyl ether
- (2R)-2-(3-methoxy-phenyl)-oxirane
- AKOS000137258
- MB01957
- OXIRANE, 2-(3-METHOXYPHENYL)-
- AS-60452
- 3-METHOXYSTYRENE OXIDE, (+/-)-
- DB-116265
- CS-0259621
- EN300-73744
- D93449
- A1-03046
- J-500922
- J-505804
- Q27268167
- Z278165228
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
150.17 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3
Property Value
1.8
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
150.068079557 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
150.068079557 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
21.8Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
11
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
136
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
1
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Parent, Connectivity Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=IJUUWUSPXYGGKY-UHFFFAOYSA-N
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/2-(3-Methoxyphenyl)oxiranehttps://commonchemistry.cas.org/detail?cas_rn=32017-77-9
- ChemIDplus3-Methoxystyrene oxidehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0032017779ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- DTP/NCILICENSEUnless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.https://www.cancer.gov/policies/copyright-reuseOxirane, (3-methoxyphenyl)-https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=55876
- EPA DSSTox2-(3-Methoxyphenyl)oxiranehttps://comptox.epa.gov/dashboard/DTXSID401311048CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- European Chemicals Agency (ECHA)LICENSEUse of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: "Source: European Chemicals Agency, http://echa.europa.eu/". Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.https://echa.europa.eu/web/guest/legal-notice2-(3-methoxyphenyl)oxiranehttps://echa.europa.eu/substance-information/-/substanceinfo/100.353.780
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linking3-METHOXYSTYRENE OXIDEhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/7ER773919C
- Japan Chemical Substance Dictionary (Nikkaji)
- SpectraBase2-(3-Methoxyphenyl)oxiranehttps://spectrabase.com/spectrum/JEdw4FBdPSy
- Thieme ChemistryLICENSEThe Thieme Chemistry contribution within PubChem is provided under a CC-BY-NC-ND 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc-nd/4.0/
- Wikidata3-methoxystyrene oxidehttps://www.wikidata.org/wiki/Q27268167
- PubChem
- PATENTSCOPE (WIPO)SID 388337875https://pubchem.ncbi.nlm.nih.gov/substance/388337875
CONTENTS