2-hydroxy-1-(3-prop-1-enylphenyl)ethanone

C11H12O2 — CID 70610552

IUPAC2-hydroxy-1-(3-prop-1-enylphenyl)ethanone
SMILESCC=Cc1cccc(C(=O)CO)c1
InChIInChI=1S/C11H12O2/c1-2-4-9-5-3-6-10(7-9)11(13)8-12/h2-7,12H,8H2,1H3
InChIKeyZVBNJCHIGNDFNY-UHFFFAOYSA-N
MW176.21 g/mol
LogP1.89
Rot. Bonds3

About 2-hydroxy-1-(3-prop-1-enylphenyl)ethanone

2-hydroxy-1-(3-prop-1-enylphenyl)ethanone (PubChem CID 70610552) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is 2-hydroxy-1-(3-prop-1-enylphenyl)ethanone.

Molecular Properties

Compound Name2-hydroxy-1-(3-prop-1-enylphenyl)ethanone
PubChem CID70610552
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Name2-hydroxy-1-(3-prop-1-enylphenyl)ethanone
SMILESCC=Cc1cccc(C(=O)CO)c1
InChIInChI=1S/C11H12O2/c1-2-4-9-5-3-6-10(7-9)11(13)8-12/h2-7,12H,8H2,1H3
InChIKeyZVBNJCHIGNDFNY-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

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Related Compounds

3-prop-1-enylbenzamide
CID 70146317
2-dimethoxyphosphoryl-1-(3-prop-1-enylphenyl)ethanone
CID 91051166
(3-prop-1-enylphenyl)methanol
CID 73411411
2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
benzylbenzene;1-[(Z)-prop-1-enyl]-3-prop-1-en-2-ylbenzene
CID 142453326
1-[3-(4-bromobut-1-enyl)phenyl]propan-1-one
CID 170497739
3-[3-(2-bromoacetyl)phenyl]prop-2-enoic acid
CID 173389351
methyl 3-hydroxy-2-(3-prop-1-enylbenzoyl)benzoate
CID 142641908
benzene;2-hydroxy-1-phenylethanone
CID 174663024
3-[3-[2-hydroxyethyl(methyl)carbamoyl]phenyl]prop-2-enoic acid
CID 54971727
3-[3-(3-bromoprop-1-enyl)phenyl]-3-oxopropanenitrile
CID 169476108
3-[2-(dimethylamino)acetyl]benzaldehyde
CID 55272304

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(3-prop-1-enylphenyl)ethanone?
The IUPAC name of 2-hydroxy-1-(3-prop-1-enylphenyl)ethanone (CID 70610552) is 2-hydroxy-1-(3-prop-1-enylphenyl)ethanone.
What is the SMILES notation for 2-hydroxy-1-(3-prop-1-enylphenyl)ethanone?
The canonical SMILES for 2-hydroxy-1-(3-prop-1-enylphenyl)ethanone is CC=Cc1cccc(C(=O)CO)c1.
What is the InChIKey of 2-hydroxy-1-(3-prop-1-enylphenyl)ethanone?
The InChIKey is ZVBNJCHIGNDFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-2-4-9-5-3-6-10(7-9)11(13)8-12/h2-7,12H,8H2,1H3.
What are the key properties of 2-hydroxy-1-(3-prop-1-enylphenyl)ethanone?
2-hydroxy-1-(3-prop-1-enylphenyl)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 2-hydroxy-1-(3-prop-1-enylphenyl)ethanone is sourced from PubChem (CID 70610552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).