(E)-3-[4-(2-fluorophenyl)phenyl]pent-2-enoic acid

C17H15FO2 — CID 82544074

IUPAC(E)-3-[4-(2-fluorophenyl)phenyl]pent-2-enoic acid
SMILESCC/C(=C\C(=O)O)c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C17H15FO2/c1-2-12(11-17(19)20)13-7-9-14(10-8-13)15-5-3-4-6-16(15)18/h3-11H,2H2,1H3,(H,19,20)/b12-11+
InChIKeyXIWBBEIPNUGAMT-VAWYXSNFSA-N
MW270.30 g/mol
LogP4.37
Rot. Bonds4

About (E)-3-[4-(2-fluorophenyl)phenyl]pent-2-enoic acid

(E)-3-[4-(2-fluorophenyl)phenyl]pent-2-enoic acid (PubChem CID 82544074) has the molecular formula C17H15FO2 and a molecular weight of 270.30 g/mol. Its IUPAC name is (E)-3-[4-(2-fluorophenyl)phenyl]pent-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[4-(2-fluorophenyl)phenyl]pent-2-enoic acid
PubChem CID82544074
Molecular FormulaC17H15FO2
Molecular Weight270.30 g/mol
Exact Mass270.11
IUPAC Name(E)-3-[4-(2-fluorophenyl)phenyl]pent-2-enoic acid
SMILESCC/C(=C\C(=O)O)c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C17H15FO2/c1-2-12(11-17(19)20)13-7-9-14(10-8-13)15-5-3-4-6-16(15)18/h3-11H,2H2,1H3,(H,19,20)/b12-11+
InChIKeyXIWBBEIPNUGAMT-VAWYXSNFSA-N
XLogP4.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-3-[4-(2-fluorophenyl)phenyl]pent-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-(2-fluorophenyl)phenyl]pent-2-enoic acid?
The IUPAC name of (E)-3-[4-(2-fluorophenyl)phenyl]pent-2-enoic acid (CID 82544074) is (E)-3-[4-(2-fluorophenyl)phenyl]pent-2-enoic acid.
What is the SMILES notation for (E)-3-[4-(2-fluorophenyl)phenyl]pent-2-enoic acid?
The canonical SMILES for (E)-3-[4-(2-fluorophenyl)phenyl]pent-2-enoic acid is CC/C(=C\C(=O)O)c1ccc(-c2ccccc2F)cc1.
What is the InChIKey of (E)-3-[4-(2-fluorophenyl)phenyl]pent-2-enoic acid?
The InChIKey is XIWBBEIPNUGAMT-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H15FO2/c1-2-12(11-17(19)20)13-7-9-14(10-8-13)15-5-3-4-6-16(15)18/h3-11H,2H2,1H3,(H,19,20)/b12-11+.
What are the key properties of (E)-3-[4-(2-fluorophenyl)phenyl]pent-2-enoic acid?
(E)-3-[4-(2-fluorophenyl)phenyl]pent-2-enoic acid has a molecular weight of 270.30 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(2-fluorophenyl)phenyl]pent-2-enoic acid is sourced from PubChem (CID 82544074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).