(Z)-3-(4-fluorophenyl)-2-(4-phenylphenyl)prop-2-enoic acid

C21H15FO2 — CID 2333509

IUPAC(Z)-3-(4-fluorophenyl)-2-(4-phenylphenyl)prop-2-enoic acid
SMILESO=C(O)/C(=C\c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H15FO2/c22-19-12-6-15(7-13-19)14-20(21(23)24)18-10-8-17(9-11-18)16-4-2-1-3-5-16/h1-14H,(H,23,24)/b20-14-
InChIKeyKUFJROMPJGMKQX-ZHZULCJRSA-N
MW318.35 g/mol
LogP5.12
Rot. Bonds4

About (Z)-3-(4-fluorophenyl)-2-(4-phenylphenyl)prop-2-enoic acid

(Z)-3-(4-fluorophenyl)-2-(4-phenylphenyl)prop-2-enoic acid (PubChem CID 2333509) has the molecular formula C21H15FO2 and a molecular weight of 318.35 g/mol. Its IUPAC name is (Z)-3-(4-fluorophenyl)-2-(4-phenylphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(4-fluorophenyl)-2-(4-phenylphenyl)prop-2-enoic acid
PubChem CID2333509
Molecular FormulaC21H15FO2
Molecular Weight318.35 g/mol
Exact Mass318.11
IUPAC Name(Z)-3-(4-fluorophenyl)-2-(4-phenylphenyl)prop-2-enoic acid
SMILESO=C(O)/C(=C\c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H15FO2/c22-19-12-6-15(7-13-19)14-20(21(23)24)18-10-8-17(9-11-18)16-4-2-1-3-5-16/h1-14H,(H,23,24)/b20-14-
InChIKeyKUFJROMPJGMKQX-ZHZULCJRSA-N
XLogP5.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.35
LogP ≤ 55.12
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'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-fluorophenyl)-2-(4-phenylphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-3-(4-fluorophenyl)-2-(4-phenylphenyl)prop-2-enoic acid (CID 2333509) is (Z)-3-(4-fluorophenyl)-2-(4-phenylphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-(4-fluorophenyl)-2-(4-phenylphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-3-(4-fluorophenyl)-2-(4-phenylphenyl)prop-2-enoic acid is O=C(O)/C(=C\c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (Z)-3-(4-fluorophenyl)-2-(4-phenylphenyl)prop-2-enoic acid?
The InChIKey is KUFJROMPJGMKQX-ZHZULCJRSA-N. The full InChI is InChI=1S/C21H15FO2/c22-19-12-6-15(7-13-19)14-20(21(23)24)18-10-8-17(9-11-18)16-4-2-1-3-5-16/h1-14H,(H,23,24)/b20-14-.
What are the key properties of (Z)-3-(4-fluorophenyl)-2-(4-phenylphenyl)prop-2-enoic acid?
(Z)-3-(4-fluorophenyl)-2-(4-phenylphenyl)prop-2-enoic acid has a molecular weight of 318.35 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-fluorophenyl)-2-(4-phenylphenyl)prop-2-enoic acid is sourced from PubChem (CID 2333509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).