2-Ethoxy-4-prop-2-enylphenol
PubChem CID
601250
Structure
Molecular Formula
Synonyms
- 2-ethoxy-4-prop-2-enylphenol
- o-ethoxy-p-allylphenol
- Phenol,2-ethoxy-4-(2-propen-1-yl)-
- 4-Allyl-2-ethoxyphenol #
- SCHEMBL4621763
Molecular Weight
178.23 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-27
- Modify:2025-01-25
Description
Phenol,2-ethoxy-4-(2-propen-1-yl)- has been reported in Cyperus conglomeratus with data available.
See also: 4-Allyl-2-ethoxyphenol (annotation moved to).
Chemical Structure Depiction
2-ethoxy-4-prop-2-enylphenol
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C11H14O2/c1-3-5-9-6-7-10(12)11(8-9)13-4-2/h3,6-8,12H,1,4-5H2,2H3
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
LEXYYUGWWDAGQB-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CCOC1=C(C=CC(=C1)CC=C)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C11H14O2
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
178.23 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3
Property Value
2.3
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
178.099379685 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
178.099379685 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
13
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
156
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
0
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)
NIST Number
109596
Library
Main library
Total Peaks
90
m/z Top Peak
178
m/z 2nd Highest
149
m/z 3rd Highest
150
Thumbnail
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Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
4-Allyl-2-ethoxyphenol (annotation moved to)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=LEXYYUGWWDAGQB-UHFFFAOYSA-N
The LOTUS Initiative for Open Natural Products Research: frozen dataset union wikidata (with metadata) | DOI:10.5281/zenodo.5794106
- 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/
- EPA DSSToxCompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- Japan Chemical Substance Dictionary (Nikkaji)
- LOTUS - the natural products occurrence databaseLICENSEThe code for LOTUS is released under the GNU General Public License v3.0.https://lotus.nprod.net/Phenol,2-ethoxy-4-(2-propen-1-yl)-https://www.wikidata.org/wiki/Q105150878LOTUS Treehttps://lotus.naturalproducts.net/
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-lawPhenol, 2-ethoxy-4-(2-propenyl)-http://www.nist.gov/srd/nist1a.cfm
- Springer Nature
- Wikidata2-ethoxy-4-(prop-2-en-1-yl)phenolhttps://www.wikidata.org/wiki/Q105150878
- 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/
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 397360279https://pubchem.ncbi.nlm.nih.gov/substance/397360279
CONTENTS