1-hydroxy-4-(2-phenylphenyl)pent-3-en-2-one

C17H16O2 — CID 154384434

IUPAC1-hydroxy-4-(2-phenylphenyl)pent-3-en-2-one
SMILESCC(=CC(=O)CO)c1ccccc1-c1ccccc1
InChIInChI=1S/C17H16O2/c1-13(11-15(19)12-18)16-9-5-6-10-17(16)14-7-3-2-4-8-14/h2-11,18H,12H2,1H3
InChIKeyKBGSMCHDPUVKSM-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.32
Rot. Bonds4

About 1-hydroxy-4-(2-phenylphenyl)pent-3-en-2-one

1-hydroxy-4-(2-phenylphenyl)pent-3-en-2-one (PubChem CID 154384434) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-hydroxy-4-(2-phenylphenyl)pent-3-en-2-one.

Molecular Properties

Compound Name1-hydroxy-4-(2-phenylphenyl)pent-3-en-2-one
PubChem CID154384434
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name1-hydroxy-4-(2-phenylphenyl)pent-3-en-2-one
SMILESCC(=CC(=O)CO)c1ccccc1-c1ccccc1
InChIInChI=1S/C17H16O2/c1-13(11-15(19)12-18)16-9-5-6-10-17(16)14-7-3-2-4-8-14/h2-11,18H,12H2,1H3
InChIKeyKBGSMCHDPUVKSM-UHFFFAOYSA-N
XLogP3.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-oxo-1-(2-phenylphenyl)but-1-en-1-olate
CID 134115873
1-[(E)-1-methoxyprop-1-en-2-yl]-2-phenylbenzene
CID 102364052
2-[3-(2-phenylphenyl)but-2-enyl]isoindole-1,3-dione
CID 70596495
2-oxo-2-(2-phenylphenyl)acetyl chloride
CID 87185845
1-[3-(2-phenylphenyl)but-2-enyl]pyrrolidine
CID 70619881
N-(2-methylprop-1-enyl)-2-phenylbenzamide
CID 13217955
acetylene;2-phenylbenzoic acid
CID 67726329
1-methyl-4-[3-(2-phenylphenyl)but-2-enyl]piperazine
CID 70595509
1-chloro-4-phenylpent-3-en-2-one
CID 88656703
benzoic acid;ethane;bis(2-phenylbenzoic acid)
CID 158851382
2-methyl-4-oxo-4-(2-phenylphenyl)butanoic acid
CID 70461221
ethyl 2-(2-phenylphenyl)but-2-enoate
CID 141332737

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-(2-phenylphenyl)pent-3-en-2-one?
The IUPAC name of 1-hydroxy-4-(2-phenylphenyl)pent-3-en-2-one (CID 154384434) is 1-hydroxy-4-(2-phenylphenyl)pent-3-en-2-one.
What is the SMILES notation for 1-hydroxy-4-(2-phenylphenyl)pent-3-en-2-one?
The canonical SMILES for 1-hydroxy-4-(2-phenylphenyl)pent-3-en-2-one is CC(=CC(=O)CO)c1ccccc1-c1ccccc1.
What is the InChIKey of 1-hydroxy-4-(2-phenylphenyl)pent-3-en-2-one?
The InChIKey is KBGSMCHDPUVKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-13(11-15(19)12-18)16-9-5-6-10-17(16)14-7-3-2-4-8-14/h2-11,18H,12H2,1H3.
What are the key properties of 1-hydroxy-4-(2-phenylphenyl)pent-3-en-2-one?
1-hydroxy-4-(2-phenylphenyl)pent-3-en-2-one has a molecular weight of 252.31 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-(2-phenylphenyl)pent-3-en-2-one is sourced from PubChem (CID 154384434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).