(Z)-5-(4-chlorophenyl)-3-(4-phenylphenyl)pent-2-enoic acid

C23H19ClO2 — CID 45381796

IUPAC(Z)-5-(4-chlorophenyl)-3-(4-phenylphenyl)pent-2-enoic acid
SMILESO=C(O)/C=C(/CCc1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H19ClO2/c24-22-14-7-17(8-15-22)6-9-21(16-23(25)26)20-12-10-19(11-13-20)18-4-2-1-3-5-18/h1-5,7-8,10-16H,6,9H2,(H,25,26)/b21-16-
InChIKeyKXEKGLNMBLODQT-PGMHBOJBSA-N
MW362.86 g/mol
LogP6.11
Rot. Bonds6

About (Z)-5-(4-chlorophenyl)-3-(4-phenylphenyl)pent-2-enoic acid

(Z)-5-(4-chlorophenyl)-3-(4-phenylphenyl)pent-2-enoic acid (PubChem CID 45381796) has the molecular formula C23H19ClO2 and a molecular weight of 362.86 g/mol. Its IUPAC name is (Z)-5-(4-chlorophenyl)-3-(4-phenylphenyl)pent-2-enoic acid.

Molecular Properties

Compound Name(Z)-5-(4-chlorophenyl)-3-(4-phenylphenyl)pent-2-enoic acid
PubChem CID45381796
Molecular FormulaC23H19ClO2
Molecular Weight362.86 g/mol
Exact Mass362.11
IUPAC Name(Z)-5-(4-chlorophenyl)-3-(4-phenylphenyl)pent-2-enoic acid
SMILESO=C(O)/C=C(/CCc1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H19ClO2/c24-22-14-7-17(8-15-22)6-9-21(16-23(25)26)20-12-10-19(11-13-20)18-4-2-1-3-5-18/h1-5,7-8,10-16H,6,9H2,(H,25,26)/b21-16-
InChIKeyKXEKGLNMBLODQT-PGMHBOJBSA-N
XLogP6.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.86
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-5-(4-chlorophenyl)-3-(4-phenylphenyl)pent-2-enoic acid?
The IUPAC name of (Z)-5-(4-chlorophenyl)-3-(4-phenylphenyl)pent-2-enoic acid (CID 45381796) is (Z)-5-(4-chlorophenyl)-3-(4-phenylphenyl)pent-2-enoic acid.
What is the SMILES notation for (Z)-5-(4-chlorophenyl)-3-(4-phenylphenyl)pent-2-enoic acid?
The canonical SMILES for (Z)-5-(4-chlorophenyl)-3-(4-phenylphenyl)pent-2-enoic acid is O=C(O)/C=C(/CCc1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (Z)-5-(4-chlorophenyl)-3-(4-phenylphenyl)pent-2-enoic acid?
The InChIKey is KXEKGLNMBLODQT-PGMHBOJBSA-N. The full InChI is InChI=1S/C23H19ClO2/c24-22-14-7-17(8-15-22)6-9-21(16-23(25)26)20-12-10-19(11-13-20)18-4-2-1-3-5-18/h1-5,7-8,10-16H,6,9H2,(H,25,26)/b21-16-.
What are the key properties of (Z)-5-(4-chlorophenyl)-3-(4-phenylphenyl)pent-2-enoic acid?
(Z)-5-(4-chlorophenyl)-3-(4-phenylphenyl)pent-2-enoic acid has a molecular weight of 362.86 g/mol, XLogP of 6.11, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(4-chlorophenyl)-3-(4-phenylphenyl)pent-2-enoic acid is sourced from PubChem (CID 45381796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).