3-(2-chlorophenyl)-1-(4-chlorophenyl)propan-1-one

C15H12Cl2O — CID 86152302

IUPAC3-(2-chlorophenyl)-1-(4-chlorophenyl)propan-1-one
SMILESO=C(CCc1ccccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C15H12Cl2O/c16-13-8-5-12(6-9-13)15(18)10-7-11-3-1-2-4-14(11)17/h1-6,8-9H,7,10H2
InChIKeyBPQAHHDXQQPZNL-UHFFFAOYSA-N
MW279.17 g/mol
LogP4.81
Rot. Bonds4

About 3-(2-chlorophenyl)-1-(4-chlorophenyl)propan-1-one

3-(2-chlorophenyl)-1-(4-chlorophenyl)propan-1-one (PubChem CID 86152302) has the molecular formula C15H12Cl2O and a molecular weight of 279.17 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-(4-chlorophenyl)propan-1-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-(4-chlorophenyl)propan-1-one
PubChem CID86152302
Molecular FormulaC15H12Cl2O
Molecular Weight279.17 g/mol
Exact Mass278.03
IUPAC Name3-(2-chlorophenyl)-1-(4-chlorophenyl)propan-1-one
SMILESO=C(CCc1ccccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C15H12Cl2O/c16-13-8-5-12(6-9-13)15(18)10-7-11-3-1-2-4-14(11)17/h1-6,8-9H,7,10H2
InChIKeyBPQAHHDXQQPZNL-UHFFFAOYSA-N
XLogP4.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(2-chlorophenyl)-1-(4-chlorophenyl)propan-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

3-(2,4-dichlorophenyl)-1-(4-fluorophenyl)propan-1-one
CID 68742879
1-(4-chlorophenyl)-2-(2,6-dichlorophenyl)ethanone
CID 63411340
1-(2-chlorophenyl)-4-methylpentan-3-one
CID 43370393
sodium 4-(2-chlorophenyl)-2-oxobutanoate
CID 168859425
N'-(3-aminopropanoyl)-3-(2-chlorophenyl)propanehydrazide
CID 94279919
3-(3-chlorophenyl)-1-(4-chlorophenyl)propan-1-one
CID 24726034
3-[(2-chlorophenyl)methylsulfinyl]-1-(4-fluorophenyl)propan-1-one
CID 103291170
1-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-one
CID 24726092
1-phenyl-3-(2-phenylphenyl)propan-1-one
CID 159880463
N'-[3-(2-chlorophenyl)propanoyl]-4-phenylbenzohydrazide
CID 17179113
3-(2-bromophenyl)-1-phenylpropan-1-one
CID 11358208
3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)propan-1-one
CID 24726104

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-(4-chlorophenyl)propan-1-one?
The IUPAC name of 3-(2-chlorophenyl)-1-(4-chlorophenyl)propan-1-one (CID 86152302) is 3-(2-chlorophenyl)-1-(4-chlorophenyl)propan-1-one.
What is the SMILES notation for 3-(2-chlorophenyl)-1-(4-chlorophenyl)propan-1-one?
The canonical SMILES for 3-(2-chlorophenyl)-1-(4-chlorophenyl)propan-1-one is O=C(CCc1ccccc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 3-(2-chlorophenyl)-1-(4-chlorophenyl)propan-1-one?
The InChIKey is BPQAHHDXQQPZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O/c16-13-8-5-12(6-9-13)15(18)10-7-11-3-1-2-4-14(11)17/h1-6,8-9H,7,10H2.
What are the key properties of 3-(2-chlorophenyl)-1-(4-chlorophenyl)propan-1-one?
3-(2-chlorophenyl)-1-(4-chlorophenyl)propan-1-one has a molecular weight of 279.17 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-(4-chlorophenyl)propan-1-one is sourced from PubChem (CID 86152302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).