(E)-3-(4-bromophenyl)-1-(4-fluorophenyl)prop-2-en-1-one

C15H10BrFO — CID 5286093

IUPAC(E)-3-(4-bromophenyl)-1-(4-fluorophenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(Br)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H10BrFO/c16-13-6-1-11(2-7-13)3-10-15(18)12-4-8-14(17)9-5-12/h1-10H/b10-3+
InChIKeyFAPZWXLSPXMLJB-XCVCLJGOSA-N
MW305.15 g/mol
LogP4.48
Rot. Bonds3

About (E)-3-(4-bromophenyl)-1-(4-fluorophenyl)prop-2-en-1-one

(E)-3-(4-bromophenyl)-1-(4-fluorophenyl)prop-2-en-1-one (PubChem CID 5286093) has the molecular formula C15H10BrFO and a molecular weight of 305.15 g/mol. Its IUPAC name is (E)-3-(4-bromophenyl)-1-(4-fluorophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(4-bromophenyl)-1-(4-fluorophenyl)prop-2-en-1-one
PubChem CID5286093
Molecular FormulaC15H10BrFO
Molecular Weight305.15 g/mol
Exact Mass303.99
IUPAC Name(E)-3-(4-bromophenyl)-1-(4-fluorophenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(Br)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H10BrFO/c16-13-6-1-11(2-7-13)3-10-15(18)12-4-8-14(17)9-5-12/h1-10H/b10-3+
InChIKeyFAPZWXLSPXMLJB-XCVCLJGOSA-N
XLogP4.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.15
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-3-(4-bromophenyl)-1-(4-fluorophenyl)prop-2-en-1-one 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-bromophenyl)-1-(4-fluorophenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(4-bromophenyl)-1-(4-fluorophenyl)prop-2-en-1-one (CID 5286093) is (E)-3-(4-bromophenyl)-1-(4-fluorophenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(4-bromophenyl)-1-(4-fluorophenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(4-bromophenyl)-1-(4-fluorophenyl)prop-2-en-1-one is O=C(/C=C/c1ccc(Br)cc1)c1ccc(F)cc1.
What is the InChIKey of (E)-3-(4-bromophenyl)-1-(4-fluorophenyl)prop-2-en-1-one?
The InChIKey is FAPZWXLSPXMLJB-XCVCLJGOSA-N. The full InChI is InChI=1S/C15H10BrFO/c16-13-6-1-11(2-7-13)3-10-15(18)12-4-8-14(17)9-5-12/h1-10H/b10-3+.
What are the key properties of (E)-3-(4-bromophenyl)-1-(4-fluorophenyl)prop-2-en-1-one?
(E)-3-(4-bromophenyl)-1-(4-fluorophenyl)prop-2-en-1-one has a molecular weight of 305.15 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-bromophenyl)-1-(4-fluorophenyl)prop-2-en-1-one is sourced from PubChem (CID 5286093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).