(E)-1-(4-chloro-2-fluorophenyl)-3-phenylprop-2-en-1-one

C15H10ClFO — CID 146010544

IUPAC(E)-1-(4-chloro-2-fluorophenyl)-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)c1ccc(Cl)cc1F
InChIInChI=1S/C15H10ClFO/c16-12-7-8-13(14(17)10-12)15(18)9-6-11-4-2-1-3-5-11/h1-10H/b9-6+
InChIKeyLJBOCUOLKQDDHG-RMKNXTFCSA-N
MW260.70 g/mol
LogP4.38
Rot. Bonds3

About (E)-1-(4-chloro-2-fluorophenyl)-3-phenylprop-2-en-1-one

(E)-1-(4-chloro-2-fluorophenyl)-3-phenylprop-2-en-1-one (PubChem CID 146010544) has the molecular formula C15H10ClFO and a molecular weight of 260.70 g/mol. Its IUPAC name is (E)-1-(4-chloro-2-fluorophenyl)-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-chloro-2-fluorophenyl)-3-phenylprop-2-en-1-one
PubChem CID146010544
Molecular FormulaC15H10ClFO
Molecular Weight260.70 g/mol
Exact Mass260.04
IUPAC Name(E)-1-(4-chloro-2-fluorophenyl)-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)c1ccc(Cl)cc1F
InChIInChI=1S/C15H10ClFO/c16-12-7-8-13(14(17)10-12)15(18)9-6-11-4-2-1-3-5-11/h1-10H/b9-6+
InChIKeyLJBOCUOLKQDDHG-RMKNXTFCSA-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 ≤ 500260.70
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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Related Compounds

(E)-1-(5-chloro-2-methylphenyl)-3-phenylprop-2-en-1-one
CID 146005953
methyl 5-chloro-2-[(E)-3-phenylprop-2-enoyl]benzoate
CID 146010493
(E)-1-[4-chloro-2-(2-phenylethynyl)phenyl]-3-phenylprop-2-en-1-one
CID 151021949
1-(5-bromo-2-fluorophenyl)-3-phenylprop-2-en-1-one
CID 71848316
1-(2,4-dichlorophenyl)-3-(3-fluorophenyl)prop-2-en-1-one
CID 5025678
(E)-1-(5-fluoro-2,4-dihydroxyphenyl)-3-phenylprop-2-en-1-one
CID 178046170
1-(4-chloro-2,5-dihydroxyphenyl)-3-phenylprop-2-en-1-one
CID 174535088
1-(2,4-dichlorophenyl)-3-[4-(N-phenylanilino)phenyl]prop-2-en-1-one
CID 4555105
(E)-1-(2-fluorophenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
CID 10399428
(E)-1-(4-chloro-2-fluorophenyl)pent-2-en-1-one
CID 103454310
(E)-1-(2,4-dichlorophenyl)-3-(2-fluorophenyl)prop-2-en-1-one
CID 19562946
4-[3-(2,4-dichlorophenyl)-3-oxoprop-1-enyl]benzoic acid
CID 5227575

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-chloro-2-fluorophenyl)-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-(4-chloro-2-fluorophenyl)-3-phenylprop-2-en-1-one (CID 146010544) is (E)-1-(4-chloro-2-fluorophenyl)-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-chloro-2-fluorophenyl)-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-(4-chloro-2-fluorophenyl)-3-phenylprop-2-en-1-one is O=C(/C=C/c1ccccc1)c1ccc(Cl)cc1F.
What is the InChIKey of (E)-1-(4-chloro-2-fluorophenyl)-3-phenylprop-2-en-1-one?
The InChIKey is LJBOCUOLKQDDHG-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H10ClFO/c16-12-7-8-13(14(17)10-12)15(18)9-6-11-4-2-1-3-5-11/h1-10H/b9-6+.
What are the key properties of (E)-1-(4-chloro-2-fluorophenyl)-3-phenylprop-2-en-1-one?
(E)-1-(4-chloro-2-fluorophenyl)-3-phenylprop-2-en-1-one has a molecular weight of 260.70 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)-1-(4-chloro-2-fluorophenyl)-3-phenylprop-2-en-1-one is sourced from PubChem (CID 146010544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).