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

C15H12Cl2O — CID 24726034

IUPAC3-(3-chlorophenyl)-1-(4-chlorophenyl)propan-1-one
SMILESO=C(CCc1cccc(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H12Cl2O/c16-13-7-5-12(6-8-13)15(18)9-4-11-2-1-3-14(17)10-11/h1-3,5-8,10H,4,9H2
InChIKeyFBODZBSXGUYQLO-UHFFFAOYSA-N
MW279.17 g/mol
LogP4.81
Rot. Bonds4

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

3-(3-chlorophenyl)-1-(4-chlorophenyl)propan-1-one (PubChem CID 24726034) has the molecular formula C15H12Cl2O and a molecular weight of 279.17 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-(4-chlorophenyl)propan-1-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-(4-chlorophenyl)propan-1-one
PubChem CID24726034
Molecular FormulaC15H12Cl2O
Molecular Weight279.17 g/mol
Exact Mass278.03
IUPAC Name3-(3-chlorophenyl)-1-(4-chlorophenyl)propan-1-one
SMILESO=C(CCc1cccc(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H12Cl2O/c16-13-7-5-12(6-8-13)15(18)9-4-11-2-1-3-14(17)10-11/h1-3,5-8,10H,4,9H2
InChIKeyFBODZBSXGUYQLO-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

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Related Compounds

3-(3-chlorophenyl)-1-(3,5-dimethylphenyl)propan-1-one
CID 24726042
3-(3-chlorophenyl)-1-(3-fluorophenyl)propan-1-one
CID 24726035
3-(3-chlorophenyl)-1-[4-[3-(dimethylamino)propyl]phenyl]propan-1-one
CID 19883660
1-(3-chlorophenyl)-3-(3-methylphenyl)propan-1-one
CID 24725678
3-(3-chlorophenyl)propanoate
CID 6946708
3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)propan-1-one
CID 24726104
3-(3-methylphenyl)-1-(4-methylphenyl)propan-1-one
CID 24725664
1-(3-chlorophenyl)-3-(4-fluorophenyl)propan-1-one
CID 24726182
1-[4-[2-(3-chlorophenyl)ethoxy]phenyl]hexan-1-one
CID 90996383
N-(2-aminoethyl)-3-(3-chlorophenyl)propanamide
CID 94684838
4-chloro-N-[4-[2-(3-chlorophenyl)ethylamino]-4-oxobutyl]benzamide
CID 27838626
3-(2-chlorophenyl)-1-(4-chlorophenyl)propan-1-one
CID 86152302

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-(4-chlorophenyl)propan-1-one?
The IUPAC name of 3-(3-chlorophenyl)-1-(4-chlorophenyl)propan-1-one (CID 24726034) is 3-(3-chlorophenyl)-1-(4-chlorophenyl)propan-1-one.
What is the SMILES notation for 3-(3-chlorophenyl)-1-(4-chlorophenyl)propan-1-one?
The canonical SMILES for 3-(3-chlorophenyl)-1-(4-chlorophenyl)propan-1-one is O=C(CCc1cccc(Cl)c1)c1ccc(Cl)cc1.
What is the InChIKey of 3-(3-chlorophenyl)-1-(4-chlorophenyl)propan-1-one?
The InChIKey is FBODZBSXGUYQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O/c16-13-7-5-12(6-8-13)15(18)9-4-11-2-1-3-14(17)10-11/h1-3,5-8,10H,4,9H2.
What are the key properties of 3-(3-chlorophenyl)-1-(4-chlorophenyl)propan-1-one?
3-(3-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-(3-chlorophenyl)-1-(4-chlorophenyl)propan-1-one is sourced from PubChem (CID 24726034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).