(E)-1-[2-(4-fluorophenyl)phenyl]-3-(4-methylphenyl)prop-2-en-1-one

C22H17FO — CID 11834052

IUPAC(E)-1-[2-(4-fluorophenyl)phenyl]-3-(4-methylphenyl)prop-2-en-1-one
SMILESCc1ccc(/C=C/C(=O)c2ccccc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C22H17FO/c1-16-6-8-17(9-7-16)10-15-22(24)21-5-3-2-4-20(21)18-11-13-19(23)14-12-18/h2-15H,1H3/b15-10+
InChIKeyWWLMBECMYVZPSX-XNTDXEJSSA-N
MW316.38 g/mol
LogP5.70
Rot. Bonds4

About (E)-1-[2-(4-fluorophenyl)phenyl]-3-(4-methylphenyl)prop-2-en-1-one

(E)-1-[2-(4-fluorophenyl)phenyl]-3-(4-methylphenyl)prop-2-en-1-one (PubChem CID 11834052) has the molecular formula C22H17FO and a molecular weight of 316.38 g/mol. Its IUPAC name is (E)-1-[2-(4-fluorophenyl)phenyl]-3-(4-methylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[2-(4-fluorophenyl)phenyl]-3-(4-methylphenyl)prop-2-en-1-one
PubChem CID11834052
Molecular FormulaC22H17FO
Molecular Weight316.38 g/mol
Exact Mass316.13
IUPAC Name(E)-1-[2-(4-fluorophenyl)phenyl]-3-(4-methylphenyl)prop-2-en-1-one
SMILESCc1ccc(/C=C/C(=O)c2ccccc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C22H17FO/c1-16-6-8-17(9-7-16)10-15-22(24)21-5-3-2-4-20(21)18-11-13-19(23)14-12-18/h2-15H,1H3/b15-10+
InChIKeyWWLMBECMYVZPSX-XNTDXEJSSA-N
XLogP5.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.38
LogP ≤ 55.70
H-Bond Donors ≤ 50
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 (E)-1-[2-(4-fluorophenyl)phenyl]-3-(4-methylphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-[2-(4-fluorophenyl)phenyl]-3-(4-methylphenyl)prop-2-en-1-one (CID 11834052) is (E)-1-[2-(4-fluorophenyl)phenyl]-3-(4-methylphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-[2-(4-fluorophenyl)phenyl]-3-(4-methylphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-[2-(4-fluorophenyl)phenyl]-3-(4-methylphenyl)prop-2-en-1-one is Cc1ccc(/C=C/C(=O)c2ccccc2-c2ccc(F)cc2)cc1.
What is the InChIKey of (E)-1-[2-(4-fluorophenyl)phenyl]-3-(4-methylphenyl)prop-2-en-1-one?
The InChIKey is WWLMBECMYVZPSX-XNTDXEJSSA-N. The full InChI is InChI=1S/C22H17FO/c1-16-6-8-17(9-7-16)10-15-22(24)21-5-3-2-4-20(21)18-11-13-19(23)14-12-18/h2-15H,1H3/b15-10+.
What are the key properties of (E)-1-[2-(4-fluorophenyl)phenyl]-3-(4-methylphenyl)prop-2-en-1-one?
(E)-1-[2-(4-fluorophenyl)phenyl]-3-(4-methylphenyl)prop-2-en-1-one has a molecular weight of 316.38 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[2-(4-fluorophenyl)phenyl]-3-(4-methylphenyl)prop-2-en-1-one is sourced from PubChem (CID 11834052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).