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

C15H10BrFO — CID 7515081

IUPAC(E)-1-(2-bromophenyl)-3-(4-fluorophenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(F)cc1)c1ccccc1Br
InChIInChI=1S/C15H10BrFO/c16-14-4-2-1-3-13(14)15(18)10-7-11-5-8-12(17)9-6-11/h1-10H/b10-7+
InChIKeyNTZGMCDZGVDFLJ-JXMROGBWSA-N
MW305.15 g/mol
LogP4.48
Rot. Bonds3

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

(E)-1-(2-bromophenyl)-3-(4-fluorophenyl)prop-2-en-1-one (PubChem CID 7515081) has the molecular formula C15H10BrFO and a molecular weight of 305.15 g/mol. Its IUPAC name is (E)-1-(2-bromophenyl)-3-(4-fluorophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2-bromophenyl)-3-(4-fluorophenyl)prop-2-en-1-one
PubChem CID7515081
Molecular FormulaC15H10BrFO
Molecular Weight305.15 g/mol
Exact Mass303.99
IUPAC Name(E)-1-(2-bromophenyl)-3-(4-fluorophenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(F)cc1)c1ccccc1Br
InChIInChI=1S/C15H10BrFO/c16-14-4-2-1-3-13(14)15(18)10-7-11-5-8-12(17)9-6-11/h1-10H/b10-7+
InChIKeyNTZGMCDZGVDFLJ-JXMROGBWSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-bromophenyl)-3-(4-fluorophenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(2-bromophenyl)-3-(4-fluorophenyl)prop-2-en-1-one (CID 7515081) is (E)-1-(2-bromophenyl)-3-(4-fluorophenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(2-bromophenyl)-3-(4-fluorophenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(2-bromophenyl)-3-(4-fluorophenyl)prop-2-en-1-one is O=C(/C=C/c1ccc(F)cc1)c1ccccc1Br.
What is the InChIKey of (E)-1-(2-bromophenyl)-3-(4-fluorophenyl)prop-2-en-1-one?
The InChIKey is NTZGMCDZGVDFLJ-JXMROGBWSA-N. The full InChI is InChI=1S/C15H10BrFO/c16-14-4-2-1-3-13(14)15(18)10-7-11-5-8-12(17)9-6-11/h1-10H/b10-7+.
What are the key properties of (E)-1-(2-bromophenyl)-3-(4-fluorophenyl)prop-2-en-1-one?
(E)-1-(2-bromophenyl)-3-(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)-1-(2-bromophenyl)-3-(4-fluorophenyl)prop-2-en-1-one is sourced from PubChem (CID 7515081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).