(E)-3-(4-chlorophenyl)-2-phenylprop-2-enoic acid

C15H11ClO2 — CID 11168792

IUPAC(E)-3-(4-chlorophenyl)-2-phenylprop-2-enoic acid
SMILESO=C(O)/C(=C/c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C15H11ClO2/c16-13-8-6-11(7-9-13)10-14(15(17)18)12-4-2-1-3-5-12/h1-10H,(H,17,18)/b14-10+
InChIKeyVRWKAXRIXMCDDY-GXDHUFHOSA-N
MW258.70 g/mol
LogP3.97
Rot. Bonds3

About (E)-3-(4-chlorophenyl)-2-phenylprop-2-enoic acid

(E)-3-(4-chlorophenyl)-2-phenylprop-2-enoic acid (PubChem CID 11168792) has the molecular formula C15H11ClO2 and a molecular weight of 258.70 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-2-phenylprop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-2-phenylprop-2-enoic acid
PubChem CID11168792
Molecular FormulaC15H11ClO2
Molecular Weight258.70 g/mol
Exact Mass258.04
IUPAC Name(E)-3-(4-chlorophenyl)-2-phenylprop-2-enoic acid
SMILESO=C(O)/C(=C/c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C15H11ClO2/c16-13-8-6-11(7-9-13)10-14(15(17)18)12-4-2-1-3-5-12/h1-10H,(H,17,18)/b14-10+
InChIKeyVRWKAXRIXMCDDY-GXDHUFHOSA-N
XLogP3.97
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-3-(4-chlorophenyl)-2-phenylprop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-2-phenylprop-2-enoic acid?
The IUPAC name of (E)-3-(4-chlorophenyl)-2-phenylprop-2-enoic acid (CID 11168792) is (E)-3-(4-chlorophenyl)-2-phenylprop-2-enoic acid.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-2-phenylprop-2-enoic acid?
The canonical SMILES for (E)-3-(4-chlorophenyl)-2-phenylprop-2-enoic acid is O=C(O)/C(=C/c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-2-phenylprop-2-enoic acid?
The InChIKey is VRWKAXRIXMCDDY-GXDHUFHOSA-N. The full InChI is InChI=1S/C15H11ClO2/c16-13-8-6-11(7-9-13)10-14(15(17)18)12-4-2-1-3-5-12/h1-10H,(H,17,18)/b14-10+.
What are the key properties of (E)-3-(4-chlorophenyl)-2-phenylprop-2-enoic acid?
(E)-3-(4-chlorophenyl)-2-phenylprop-2-enoic acid has a molecular weight of 258.70 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-2-phenylprop-2-enoic acid is sourced from PubChem (CID 11168792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).