2-hydroxy-1-phenylpent-2-en-1-one

C11H12O2 — CID 154192343

IUPAC2-hydroxy-1-phenylpent-2-en-1-one
SMILESCCC=C(O)C(=O)c1ccccc1
InChIInChI=1S/C11H12O2/c1-2-6-10(12)11(13)9-7-4-3-5-8-9/h3-8,12H,2H2,1H3
InChIKeyLUYLFKVKOLGVMP-UHFFFAOYSA-N
MW176.21 g/mol
LogP2.72
Rot. Bonds3

About 2-hydroxy-1-phenylpent-2-en-1-one

2-hydroxy-1-phenylpent-2-en-1-one (PubChem CID 154192343) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is 2-hydroxy-1-phenylpent-2-en-1-one.

Molecular Properties

Compound Name2-hydroxy-1-phenylpent-2-en-1-one
PubChem CID154192343
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Name2-hydroxy-1-phenylpent-2-en-1-one
SMILESCCC=C(O)C(=O)c1ccccc1
InChIInChI=1S/C11H12O2/c1-2-6-10(12)11(13)9-7-4-3-5-8-9/h3-8,12H,2H2,1H3
InChIKeyLUYLFKVKOLGVMP-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-1,2-diphenylpent-2-en-1-one
CID 14568344
2-methyl-1-phenylpent-2-en-1-one
CID 130638834
(E)-1-phenyl-2-phenylsulfanylpent-2-en-1-one
CID 11254187
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
3-phenylhex-3-en-2-one
CID 130637770
2-methylidene-1-phenylbutan-1-one
CID 11788458
1,2-diphenylethane-1,2-dione;ethoxyethane
CID 67496620
1,2-diphenylethane-1,2-dione bromide
CID 86754555
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
1,2-diphenylethane-1,2-dione;iron
CID 70488368
1,2-diphenylethane-1,2-dione;sulfane
CID 159672950

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-phenylpent-2-en-1-one?
The IUPAC name of 2-hydroxy-1-phenylpent-2-en-1-one (CID 154192343) is 2-hydroxy-1-phenylpent-2-en-1-one.
What is the SMILES notation for 2-hydroxy-1-phenylpent-2-en-1-one?
The canonical SMILES for 2-hydroxy-1-phenylpent-2-en-1-one is CCC=C(O)C(=O)c1ccccc1.
What is the InChIKey of 2-hydroxy-1-phenylpent-2-en-1-one?
The InChIKey is LUYLFKVKOLGVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-2-6-10(12)11(13)9-7-4-3-5-8-9/h3-8,12H,2H2,1H3.
What are the key properties of 2-hydroxy-1-phenylpent-2-en-1-one?
2-hydroxy-1-phenylpent-2-en-1-one has a molecular weight of 176.21 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-phenylpent-2-en-1-one is sourced from PubChem (CID 154192343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).