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

C15H10ClFO — CID 5383898

IUPAC(E)-3-(2-chlorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C15H10ClFO/c16-14-4-2-1-3-11(14)7-10-15(18)12-5-8-13(17)9-6-12/h1-10H/b10-7+
InChIKeyVXYSLQXVRKLSBO-JXMROGBWSA-N
MW260.69 g/mol
LogP4.38
Rot. Bonds3

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

(E)-3-(2-chlorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one (PubChem CID 5383898) has the molecular formula C15H10ClFO and a molecular weight of 260.69 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one
PubChem CID5383898
Molecular FormulaC15H10ClFO
Molecular Weight260.69 g/mol
Exact Mass260.04
IUPAC Name(E)-3-(2-chlorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C15H10ClFO/c16-14-4-2-1-3-11(14)7-10-15(18)12-5-8-13(17)9-6-12/h1-10H/b10-7+
InChIKeyVXYSLQXVRKLSBO-JXMROGBWSA-N
XLogP4.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.69
LogP ≤ 54.38
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)-3-(2-chlorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(2-chlorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one (CID 5383898) is (E)-3-(2-chlorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(2-chlorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one is O=C(/C=C/c1ccccc1Cl)c1ccc(F)cc1.
What is the InChIKey of (E)-3-(2-chlorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one?
The InChIKey is VXYSLQXVRKLSBO-JXMROGBWSA-N. The full InChI is InChI=1S/C15H10ClFO/c16-14-4-2-1-3-11(14)7-10-15(18)12-5-8-13(17)9-6-12/h1-10H/b10-7+.
What are the key properties of (E)-3-(2-chlorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one?
(E)-3-(2-chlorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one has a molecular weight of 260.69 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one is sourced from PubChem (CID 5383898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).