(2Z)-2-benzylidene-4-phenylbutanoic acid

C17H16O2 — CID 131987108

IUPAC(2Z)-2-benzylidene-4-phenylbutanoic acid
SMILESO=C(O)/C(=C\c1ccccc1)CCc1ccccc1
InChIInChI=1S/C17H16O2/c18-17(19)16(13-15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h1-10,13H,11-12H2,(H,18,19)/b16-13-
InChIKeyGGETYRNAHCZAJZ-SSZFMOIBSA-N
MW252.31 g/mol
LogP3.79
Rot. Bonds5

About (2Z)-2-benzylidene-4-phenylbutanoic acid

(2Z)-2-benzylidene-4-phenylbutanoic acid (PubChem CID 131987108) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is (2Z)-2-benzylidene-4-phenylbutanoic acid.

Molecular Properties

Compound Name(2Z)-2-benzylidene-4-phenylbutanoic acid
PubChem CID131987108
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name(2Z)-2-benzylidene-4-phenylbutanoic acid
SMILESO=C(O)/C(=C\c1ccccc1)CCc1ccccc1
InChIInChI=1S/C17H16O2/c18-17(19)16(13-15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h1-10,13H,11-12H2,(H,18,19)/b16-13-
InChIKeyGGETYRNAHCZAJZ-SSZFMOIBSA-N
XLogP3.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z)-2-benzylidene-4-phenylbutanoic acid 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

(2E)-2-benzylidenehexanoic acid
CID 5354388
(2E)-2-benzylidene-5-oxohexanoic acid
CID 134845903
(2E)-2-benzylideneheptanoic acid
CID 14318164
2-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-phenylbutanoic acid
CID 90970881
2-benzylidene-4-methoxybutanoic acid
CID 150039493
(2Z)-2-benzylidene-5-methylhexanoic acid
CID 70273739
2-(bromomethyl)-3-phenylprop-2-enoic acid
CID 4155481
(E)-2-methyl-1,6-diphenylhex-1-ene-3,4-dione
CID 101412712
(3Z)-3-benzylidene-5-(4-nitrophenyl)pentan-2-one
CID 102283600
(E)-3-(hydroxymethyl)-2-oxo-4-phenylbut-3-enoic acid
CID 138679673
(2E)-2-[(3,4-dihydroxyphenyl)methylidene]-4-phenylbutanoic acid;2-phenylethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
CID 175919948
methyl 2-(2-phenylethyl)but-2-enoate
CID 162347431

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-benzylidene-4-phenylbutanoic acid?
The IUPAC name of (2Z)-2-benzylidene-4-phenylbutanoic acid (CID 131987108) is (2Z)-2-benzylidene-4-phenylbutanoic acid.
What is the SMILES notation for (2Z)-2-benzylidene-4-phenylbutanoic acid?
The canonical SMILES for (2Z)-2-benzylidene-4-phenylbutanoic acid is O=C(O)/C(=C\c1ccccc1)CCc1ccccc1.
What is the InChIKey of (2Z)-2-benzylidene-4-phenylbutanoic acid?
The InChIKey is GGETYRNAHCZAJZ-SSZFMOIBSA-N. The full InChI is InChI=1S/C17H16O2/c18-17(19)16(13-15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h1-10,13H,11-12H2,(H,18,19)/b16-13-.
What are the key properties of (2Z)-2-benzylidene-4-phenylbutanoic acid?
(2Z)-2-benzylidene-4-phenylbutanoic acid has a molecular weight of 252.31 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-benzylidene-4-phenylbutanoic acid is sourced from PubChem (CID 131987108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).