(E)-3-(3-ethoxyphenyl)prop-2-en-1-ol

C11H14O2 — CID 11073969

IUPAC(E)-3-(3-ethoxyphenyl)prop-2-en-1-ol
SMILESCCOc1cccc(/C=C/CO)c1
InChIInChI=1S/C11H14O2/c1-2-13-11-7-3-5-10(9-11)6-4-8-12/h3-7,9,12H,2,8H2,1H3/b6-4+
InChIKeyNQSKBQAAOOMSAS-GQCTYLIASA-N
MW178.23 g/mol
LogP2.09
Rot. Bonds4

About (E)-3-(3-ethoxyphenyl)prop-2-en-1-ol

(E)-3-(3-ethoxyphenyl)prop-2-en-1-ol (PubChem CID 11073969) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (E)-3-(3-ethoxyphenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(3-ethoxyphenyl)prop-2-en-1-ol
PubChem CID11073969
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name(E)-3-(3-ethoxyphenyl)prop-2-en-1-ol
SMILESCCOc1cccc(/C=C/CO)c1
InChIInChI=1S/C11H14O2/c1-2-13-11-7-3-5-10(9-11)6-4-8-12/h3-7,9,12H,2,8H2,1H3/b6-4+
InChIKeyNQSKBQAAOOMSAS-GQCTYLIASA-N
XLogP2.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 139695062
1-(3-azidoprop-1-enyl)-3-ethoxybenzene
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1-ethenyl-3-ethoxybenzene
CID 11672687
ethyl 2-[3-[(E)-3-hydroxyprop-1-enyl]phenoxy]-2-methylpropanoate
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1-(4-azidobut-1-enyl)-3-ethoxybenzene
CID 170485187
[3-[(E)-3-hydroxyprop-1-enyl]phenyl] hydrogen sulfate
CID 131838907
1-ethoxy-3-(2-nitroethenyl)benzene
CID 76912992
(2R)-2-[[(E)-3-(3-ethoxyphenyl)prop-2-enoyl]amino]propanoic acid
CID 92919830
4-(3-propoxyphenyl)but-3-enal
CID 170482159
3-(3-chloro-4-ethoxyphenyl)prop-2-en-1-ol
CID 141410707
ethyl (E)-3-(3-ethoxyphenyl)-2-methylprop-2-enoate
CID 104503552
3-(3-ethoxyphenyl)-N-ethyl-2-methylprop-2-en-1-amine
CID 79341319

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-ethoxyphenyl)prop-2-en-1-ol?
The IUPAC name of (E)-3-(3-ethoxyphenyl)prop-2-en-1-ol (CID 11073969) is (E)-3-(3-ethoxyphenyl)prop-2-en-1-ol.
What is the SMILES notation for (E)-3-(3-ethoxyphenyl)prop-2-en-1-ol?
The canonical SMILES for (E)-3-(3-ethoxyphenyl)prop-2-en-1-ol is CCOc1cccc(/C=C/CO)c1.
What is the InChIKey of (E)-3-(3-ethoxyphenyl)prop-2-en-1-ol?
The InChIKey is NQSKBQAAOOMSAS-GQCTYLIASA-N. The full InChI is InChI=1S/C11H14O2/c1-2-13-11-7-3-5-10(9-11)6-4-8-12/h3-7,9,12H,2,8H2,1H3/b6-4+.
What are the key properties of (E)-3-(3-ethoxyphenyl)prop-2-en-1-ol?
(E)-3-(3-ethoxyphenyl)prop-2-en-1-ol has a molecular weight of 178.23 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-ethoxyphenyl)prop-2-en-1-ol is sourced from PubChem (CID 11073969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).