beta-Methoxy-alpha-phenylphenethyl alcohol
PubChem CID
93973
Structure
Molecular Formula
Synonyms
- 2-Methoxy-1,2-diphenylethanol
- 58176-63-9
- beta-Methoxy-alpha-phenylphenethyl alcohol
- 2-methoxy-1,2-diphenyl-ethanol
- 2-Methoxy-1,2-diphenylethan-1-ol
Molecular Weight
228.29 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-27
- Modify:2025-01-11
Chemical Structure Depiction
2-methoxy-1,2-diphenylethanol
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C15H16O2/c1-17-15(13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12/h2-11,14-16H,1H3
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
DAUUWYCGIFAYBG-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
COC(C1=CC=CC=C1)C(C2=CC=CC=C2)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C15H16O2
Computed by PubChem 2.2 (PubChem release 2021.10.14)
- 2-Methoxy-1,2-diphenylethanol
- 58176-63-9
- beta-Methoxy-alpha-phenylphenethyl alcohol
- 2-methoxy-1,2-diphenyl-ethanol
- 2-Methoxy-1,2-diphenylethan-1-ol
- 6941-71-5
- EINECS 261-152-3
- Beta-methoxy-alpha-phenylphenethylalcohol
- SCHEMBL5873469
- DTXSID40973744
- DAUUWYCGIFAYBG-UHFFFAOYSA-N
- 2-Methoxy-1,2-diphenylethanol #
- AKOS005942416
- NS00054291
- .beta.-Methoxy-.alpha.-phenylphenethyl alcohol
- Benzeneethanol, .beta.-methoxy-.alpha.-phenyl-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
228.29 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
2.5
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
1
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
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
228.115029749 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
228.115029749 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
29.5 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
17
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
205
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
2
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
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
PubMed Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=DAUUWYCGIFAYBG-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/β-Methoxy-α-phenylbenzeneethanolhttps://commonchemistry.cas.org/detail?cas_rn=58176-63-9
- ChemIDplusbeta-Methoxy-alpha-phenylphenethyl alcoholhttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0058176639ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSTox2-Methoxy-1,2-diphenylethan-1-olhttps://comptox.epa.gov/dashboard/DTXSID40973744CompTox 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-noticeβ-methoxy-α-phenylphenethyl alcoholhttps://echa.europa.eu/substance-information/-/substanceinfo/100.055.575
- Japan Chemical Substance Dictionary (Nikkaji)
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-law.beta.-Methoxy-.alpha.-phenylphenethyl alcoholhttp://www.nist.gov/srd/nist1a.cfm
- SpectraBase2-Methoxy-1,2-diphenylethanolhttps://spectrabase.com/spectrum/5u23bUrIDOb(+/-)-beta-Methoxy-alpha-phenylphenethyl alcoholhttps://spectrabase.com/spectrum/Osvc3FuBav(+/-)-beta-Methoxy-alpha-phenylphenethyl alcoholhttps://spectrabase.com/spectrum/4S7uMJG5B3O(+/-)-beta-Methoxy-alpha-phenylphenethyl alcoholhttps://spectrabase.com/spectrum/FqrjWRruAtc(+/-)-beta-Methoxy-alpha-phenylphenethyl alcoholhttps://spectrabase.com/spectrum/A4E2C6cbjOK
- Springer Nature
- 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/
- Wikidata2-Methoxy-1,2-diphenylethan-1-olhttps://www.wikidata.org/wiki/Q82957792
- Wiley
- PubChem
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/NORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- PATENTSCOPE (WIPO)SID 404107895https://pubchem.ncbi.nlm.nih.gov/substance/404107895
CONTENTS