(Z)-4-hydroxy-4-(4-phenylphenyl)but-3-en-2-one

C16H14O2 — CID 15800409

IUPAC(Z)-4-hydroxy-4-(4-phenylphenyl)but-3-en-2-one
SMILESCC(=O)/C=C(\O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H14O2/c1-12(17)11-16(18)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-11,18H,1H3/b16-11-
InChIKeyUAWHJLQUPXMETN-WJDWOHSUSA-N
MW238.29 g/mol
LogP3.84
Rot. Bonds3

About (Z)-4-hydroxy-4-(4-phenylphenyl)but-3-en-2-one

(Z)-4-hydroxy-4-(4-phenylphenyl)but-3-en-2-one (PubChem CID 15800409) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is (Z)-4-hydroxy-4-(4-phenylphenyl)but-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-hydroxy-4-(4-phenylphenyl)but-3-en-2-one
PubChem CID15800409
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name(Z)-4-hydroxy-4-(4-phenylphenyl)but-3-en-2-one
SMILESCC(=O)/C=C(\O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H14O2/c1-12(17)11-16(18)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-11,18H,1H3/b16-11-
InChIKeyUAWHJLQUPXMETN-WJDWOHSUSA-N
XLogP3.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.84
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'}

Analyze (Z)-4-hydroxy-4-(4-phenylphenyl)but-3-en-2-one 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

4-hydroxy-4-[4-(1,2,2-triphenylethenyl)phenyl]but-3-en-2-one
CID 175049722
ethane;1-(4-phenylphenyl)ethanone
CID 123256888
formaldehyde;1-(4-phenylphenyl)ethanone
CID 70138371
ethane;3-methyl-4-oxo-4-(4-phenylphenyl)but-2-enoic acid
CID 91568344
(Z)-4-(4-ethylsulfanylphenyl)-4-hydroxybut-3-en-2-one
CID 27280853
acetic acid;1,1'-biphenyl;zinc
CID 70522083
acetic acid;1,1'-biphenyl;ethane
CID 91464981
4-phenylpent-3-en-2-one
CID 594380
[4-(1-hydroxy-3-oxobut-1-enyl)phenyl] prop-2-enoate
CID 72521598
phenyl-(4-phenylphenyl)methanone
CID 155775877
ethane;4-phenylpent-3-en-2-one
CID 123324566
(Z)-3-(4-phenylphenyl)but-2-enal
CID 20528564

Frequently Asked Questions

What is the IUPAC name of (Z)-4-hydroxy-4-(4-phenylphenyl)but-3-en-2-one?
The IUPAC name of (Z)-4-hydroxy-4-(4-phenylphenyl)but-3-en-2-one (CID 15800409) is (Z)-4-hydroxy-4-(4-phenylphenyl)but-3-en-2-one.
What is the SMILES notation for (Z)-4-hydroxy-4-(4-phenylphenyl)but-3-en-2-one?
The canonical SMILES for (Z)-4-hydroxy-4-(4-phenylphenyl)but-3-en-2-one is CC(=O)/C=C(\O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (Z)-4-hydroxy-4-(4-phenylphenyl)but-3-en-2-one?
The InChIKey is UAWHJLQUPXMETN-WJDWOHSUSA-N. The full InChI is InChI=1S/C16H14O2/c1-12(17)11-16(18)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-11,18H,1H3/b16-11-.
What are the key properties of (Z)-4-hydroxy-4-(4-phenylphenyl)but-3-en-2-one?
(Z)-4-hydroxy-4-(4-phenylphenyl)but-3-en-2-one has a molecular weight of 238.29 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-hydroxy-4-(4-phenylphenyl)but-3-en-2-one is sourced from PubChem (CID 15800409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).