1-[4-(3-hydroxyprop-1-enyl)phenyl]ethanone

C11H12O2 — CID 135007292

IUPAC1-[4-(3-hydroxyprop-1-enyl)phenyl]ethanone
SMILESCC(=O)c1ccc(C=CCO)cc1
InChIInChI=1S/C11H12O2/c1-9(13)11-6-4-10(5-7-11)3-2-8-12/h2-7,12H,8H2,1H3
InChIKeyRWKWWKMXATYZGS-UHFFFAOYSA-N
MW176.21 g/mol
LogP1.89
Rot. Bonds3

About 1-[4-(3-hydroxyprop-1-enyl)phenyl]ethanone

1-[4-(3-hydroxyprop-1-enyl)phenyl]ethanone (PubChem CID 135007292) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is 1-[4-(3-hydroxyprop-1-enyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(3-hydroxyprop-1-enyl)phenyl]ethanone
PubChem CID135007292
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Name1-[4-(3-hydroxyprop-1-enyl)phenyl]ethanone
SMILESCC(=O)c1ccc(C=CCO)cc1
InChIInChI=1S/C11H12O2/c1-9(13)11-6-4-10(5-7-11)3-2-8-12/h2-7,12H,8H2,1H3
InChIKeyRWKWWKMXATYZGS-UHFFFAOYSA-N
XLogP1.89
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-(3-hydroxyprop-1-enyl)phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[(E)-3-phenylprop-1-enyl]phenyl]ethanone
CID 10633570
tert-butyl 4-(3-hydroxyprop-1-enyl)benzoate
CID 169454130
CID 139244857
CID 139244857
1-[4-(4-azidobut-1-enyl)phenyl]ethanone
CID 170485177
(E)-1-(4-acetylphenyl)-4-phenylbut-3-en-1-one
CID 46928519
1-[4-[(E)-3-phenylmethoxyprop-1-enyl]phenyl]ethanone
CID 11230907
1-[4-[(E)-4-hydroxy-4-phenylbut-1-enyl]phenyl]ethanone
CID 11323090
(Z)-3-(4-acetylphenyl)prop-2-enoyl chloride
CID 42611107
(E)-3-(4-acetylphenyl)-N-(2-hydroxyethyl)prop-2-enamide
CID 13364699
(Z)-3-(4-acetylphenyl)prop-2-enenitrile
CID 45085761
3-(4-methylsulfonylphenyl)prop-2-en-1-ol
CID 71340386
1-(4-acetylphenyl)ethanone;methane
CID 159515104

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-hydroxyprop-1-enyl)phenyl]ethanone?
The IUPAC name of 1-[4-(3-hydroxyprop-1-enyl)phenyl]ethanone (CID 135007292) is 1-[4-(3-hydroxyprop-1-enyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(3-hydroxyprop-1-enyl)phenyl]ethanone?
The canonical SMILES for 1-[4-(3-hydroxyprop-1-enyl)phenyl]ethanone is CC(=O)c1ccc(C=CCO)cc1.
What is the InChIKey of 1-[4-(3-hydroxyprop-1-enyl)phenyl]ethanone?
The InChIKey is RWKWWKMXATYZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-9(13)11-6-4-10(5-7-11)3-2-8-12/h2-7,12H,8H2,1H3.
What are the key properties of 1-[4-(3-hydroxyprop-1-enyl)phenyl]ethanone?
1-[4-(3-hydroxyprop-1-enyl)phenyl]ethanone has a molecular weight of 176.21 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-hydroxyprop-1-enyl)phenyl]ethanone is sourced from PubChem (CID 135007292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).