(E)-3-[3-(2-fluorophenyl)phenyl]-2-methylprop-2-enoic acid

C16H13FO2 — CID 170873482

IUPAC(E)-3-[3-(2-fluorophenyl)phenyl]-2-methylprop-2-enoic acid
SMILESC/C(=C\c1cccc(-c2ccccc2F)c1)C(=O)O
InChIInChI=1S/C16H13FO2/c1-11(16(18)19)9-12-5-4-6-13(10-12)14-7-2-3-8-15(14)17/h2-10H,1H3,(H,18,19)/b11-9+
InChIKeySKXMXLZLPIXGAU-PKNBQFBNSA-N
MW256.28 g/mol
LogP3.98
Rot. Bonds3

About (E)-3-[3-(2-fluorophenyl)phenyl]-2-methylprop-2-enoic acid

(E)-3-[3-(2-fluorophenyl)phenyl]-2-methylprop-2-enoic acid (PubChem CID 170873482) has the molecular formula C16H13FO2 and a molecular weight of 256.28 g/mol. Its IUPAC name is (E)-3-[3-(2-fluorophenyl)phenyl]-2-methylprop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[3-(2-fluorophenyl)phenyl]-2-methylprop-2-enoic acid
PubChem CID170873482
Molecular FormulaC16H13FO2
Molecular Weight256.28 g/mol
Exact Mass256.09
IUPAC Name(E)-3-[3-(2-fluorophenyl)phenyl]-2-methylprop-2-enoic acid
SMILESC/C(=C\c1cccc(-c2ccccc2F)c1)C(=O)O
InChIInChI=1S/C16H13FO2/c1-11(16(18)19)9-12-5-4-6-13(10-12)14-7-2-3-8-15(14)17/h2-10H,1H3,(H,18,19)/b11-9+
InChIKeySKXMXLZLPIXGAU-PKNBQFBNSA-N
XLogP3.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-3-[3-(2-fluorophenyl)phenyl]-2-methylprop-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-[3-(2-fluorophenyl)phenyl]-2-methylprop-2-enoic acid?
The IUPAC name of (E)-3-[3-(2-fluorophenyl)phenyl]-2-methylprop-2-enoic acid (CID 170873482) is (E)-3-[3-(2-fluorophenyl)phenyl]-2-methylprop-2-enoic acid.
What is the SMILES notation for (E)-3-[3-(2-fluorophenyl)phenyl]-2-methylprop-2-enoic acid?
The canonical SMILES for (E)-3-[3-(2-fluorophenyl)phenyl]-2-methylprop-2-enoic acid is C/C(=C\c1cccc(-c2ccccc2F)c1)C(=O)O.
What is the InChIKey of (E)-3-[3-(2-fluorophenyl)phenyl]-2-methylprop-2-enoic acid?
The InChIKey is SKXMXLZLPIXGAU-PKNBQFBNSA-N. The full InChI is InChI=1S/C16H13FO2/c1-11(16(18)19)9-12-5-4-6-13(10-12)14-7-2-3-8-15(14)17/h2-10H,1H3,(H,18,19)/b11-9+.
What are the key properties of (E)-3-[3-(2-fluorophenyl)phenyl]-2-methylprop-2-enoic acid?
(E)-3-[3-(2-fluorophenyl)phenyl]-2-methylprop-2-enoic acid has a molecular weight of 256.28 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-(2-fluorophenyl)phenyl]-2-methylprop-2-enoic acid is sourced from PubChem (CID 170873482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).