(E)-1-(2-acetylphenyl)-3-hydroxyprop-2-en-1-one

C11H10O3 — CID 138456947

IUPAC(E)-1-(2-acetylphenyl)-3-hydroxyprop-2-en-1-one
SMILESCC(=O)c1ccccc1C(=O)/C=C/O
InChIInChI=1S/C11H10O3/c1-8(13)9-4-2-3-5-10(9)11(14)6-7-12/h2-7,12H,1H3/b7-6+
InChIKeyOANDEWLFXGWHMD-VOTSOKGWSA-N
MW190.20 g/mol
LogP2.14
Rot. Bonds3

About (E)-1-(2-acetylphenyl)-3-hydroxyprop-2-en-1-one

(E)-1-(2-acetylphenyl)-3-hydroxyprop-2-en-1-one (PubChem CID 138456947) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is (E)-1-(2-acetylphenyl)-3-hydroxyprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2-acetylphenyl)-3-hydroxyprop-2-en-1-one
PubChem CID138456947
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name(E)-1-(2-acetylphenyl)-3-hydroxyprop-2-en-1-one
SMILESCC(=O)c1ccccc1C(=O)/C=C/O
InChIInChI=1S/C11H10O3/c1-8(13)9-4-2-3-5-10(9)11(14)6-7-12/h2-7,12H,1H3/b7-6+
InChIKeyOANDEWLFXGWHMD-VOTSOKGWSA-N
XLogP2.14
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-acetylphenyl)ethanone;methane
CID 158210616
acetaldehyde;1-(2-acetylphenyl)ethanone
CID 159210458
bis(1-(2-hydroxyphenyl)ethanone);zirconium
CID 87865139
cerium;1-(2-hydroxyphenyl)ethanone
CID 174280590
ethane;1-(2-methylphenyl)ethanone
CID 91374073
1-(2-chlorophenyl)ethanone;hydrochloride
CID 174743581
2-acetyl-N-oxidobenzamide
CID 163875491
1-(2-acetylphenyl)-2-bromoethanone
CID 10037328
1-(2-acetylphenyl)butane-1,3-dione
CID 56993982
1-[2-(1-hydroxyprop-2-enyl)phenyl]ethanone
CID 89057752
1-(2-but-2-enoylphenyl)but-2-en-1-one;ethenoxyethene
CID 70261829
3-(2-acetylphenyl)prop-2-enoic acid;hydrochloride
CID 174578374

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-acetylphenyl)-3-hydroxyprop-2-en-1-one?
The IUPAC name of (E)-1-(2-acetylphenyl)-3-hydroxyprop-2-en-1-one (CID 138456947) is (E)-1-(2-acetylphenyl)-3-hydroxyprop-2-en-1-one.
What is the SMILES notation for (E)-1-(2-acetylphenyl)-3-hydroxyprop-2-en-1-one?
The canonical SMILES for (E)-1-(2-acetylphenyl)-3-hydroxyprop-2-en-1-one is CC(=O)c1ccccc1C(=O)/C=C/O.
What is the InChIKey of (E)-1-(2-acetylphenyl)-3-hydroxyprop-2-en-1-one?
The InChIKey is OANDEWLFXGWHMD-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H10O3/c1-8(13)9-4-2-3-5-10(9)11(14)6-7-12/h2-7,12H,1H3/b7-6+.
What are the key properties of (E)-1-(2-acetylphenyl)-3-hydroxyprop-2-en-1-one?
(E)-1-(2-acetylphenyl)-3-hydroxyprop-2-en-1-one has a molecular weight of 190.20 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-acetylphenyl)-3-hydroxyprop-2-en-1-one is sourced from PubChem (CID 138456947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).