1-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenyl)prop-2-en-1-one

C16H12ClFO2 — CID 139678151

IUPAC1-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenyl)prop-2-en-1-one
SMILESC=C(C(=O)c1cc(Cl)ccc1OC)c1cccc(F)c1
InChIInChI=1S/C16H12ClFO2/c1-10(11-4-3-5-13(18)8-11)16(19)14-9-12(17)6-7-15(14)20-2/h3-9H,1H2,2H3
InChIKeyPVQSVJGXDSYELD-UHFFFAOYSA-N
MW290.72 g/mol
LogP4.38
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenyl)prop-2-en-1-one

1-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenyl)prop-2-en-1-one (PubChem CID 139678151) has the molecular formula C16H12ClFO2 and a molecular weight of 290.72 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenyl)prop-2-en-1-one
PubChem CID139678151
Molecular FormulaC16H12ClFO2
Molecular Weight290.72 g/mol
Exact Mass290.05
IUPAC Name1-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenyl)prop-2-en-1-one
SMILESC=C(C(=O)c1cc(Cl)ccc1OC)c1cccc(F)c1
InChIInChI=1S/C16H12ClFO2/c1-10(11-4-3-5-13(18)8-11)16(19)14-9-12(17)6-7-15(14)20-2/h3-9H,1H2,2H3
InChIKeyPVQSVJGXDSYELD-UHFFFAOYSA-N
XLogP4.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.72
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(5-chloro-2-methoxyphenyl)-2-(3-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

Related Compounds

(5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339633
(5-fluoro-2-methoxyphenyl)-(3-fluorophenyl)methanone
CID 43339656
1-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenyl)sulfanylethanone
CID 66072256
5-chloro-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2-methoxybenzamide
CID 55894052
(3-fluoro-4-methoxyphenyl)-(3-fluorophenyl)methanone
CID 22015795
(5-chloro-2-methoxyphenyl)-(2,3-difluorophenyl)methanone
CID 113425387
(2-chloro-3-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 112694005
3-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenyl)-3-oxopropanenitrile
CID 43157101
(5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanone
CID 112694008
(5-chloro-2-methoxyphenyl)-(4-fluoro-2-methylphenyl)methanone
CID 81274056
5-chloro-2-methoxybenzoate
CID 6933314
(2-bromo-5-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 104544915

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenyl)prop-2-en-1-one?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenyl)prop-2-en-1-one (CID 139678151) is 1-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenyl)prop-2-en-1-one.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenyl)prop-2-en-1-one?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenyl)prop-2-en-1-one is C=C(C(=O)c1cc(Cl)ccc1OC)c1cccc(F)c1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenyl)prop-2-en-1-one?
The InChIKey is PVQSVJGXDSYELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFO2/c1-10(11-4-3-5-13(18)8-11)16(19)14-9-12(17)6-7-15(14)20-2/h3-9H,1H2,2H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenyl)prop-2-en-1-one?
1-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenyl)prop-2-en-1-one has a molecular weight of 290.72 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenyl)prop-2-en-1-one is sourced from PubChem (CID 139678151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).