3-chloro-2-(4-chlorophenyl)-1-phenylpropan-1-one

C15H12Cl2O — CID 70489362

IUPAC3-chloro-2-(4-chlorophenyl)-1-phenylpropan-1-one
SMILESO=C(c1ccccc1)C(CCl)c1ccc(Cl)cc1
InChIInChI=1S/C15H12Cl2O/c16-10-14(11-6-8-13(17)9-7-11)15(18)12-4-2-1-3-5-12/h1-9,14H,10H2
InChIKeyCJESKZTWELMNHL-UHFFFAOYSA-N
MW279.17 g/mol
LogP4.55
Rot. Bonds4

About 3-chloro-2-(4-chlorophenyl)-1-phenylpropan-1-one

3-chloro-2-(4-chlorophenyl)-1-phenylpropan-1-one (PubChem CID 70489362) has the molecular formula C15H12Cl2O and a molecular weight of 279.17 g/mol. Its IUPAC name is 3-chloro-2-(4-chlorophenyl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-chloro-2-(4-chlorophenyl)-1-phenylpropan-1-one
PubChem CID70489362
Molecular FormulaC15H12Cl2O
Molecular Weight279.17 g/mol
Exact Mass278.03
IUPAC Name3-chloro-2-(4-chlorophenyl)-1-phenylpropan-1-one
SMILESO=C(c1ccccc1)C(CCl)c1ccc(Cl)cc1
InChIInChI=1S/C15H12Cl2O/c16-10-14(11-6-8-13(17)9-7-11)15(18)12-4-2-1-3-5-12/h1-9,14H,10H2
InChIKeyCJESKZTWELMNHL-UHFFFAOYSA-N
XLogP4.55
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 ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-3-hydroxy-2-phenylpropan-1-one
CID 122226240
(2R)-1-(4-chlorophenyl)-2,4-diphenylbutane-1,4-dione
CID 135053959
2-chloro-2-(4-chlorophenyl)-1-phenylethanone
CID 14247251
(2R)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoic acid
CID 1483936
1-(4-chlorophenyl)-4-phenyl-2-pyridin-4-ylbutane-1,4-dione
CID 18939015
1-(4-chlorophenyl)-3-nitro-2-phenylpropan-1-one
CID 101095215
2-(4-chlorophenyl)-4-morpholin-4-yl-1-phenylbutane-1,4-dione
CID 11405651
(2R)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoate
CID 6987093
(2R)-1,2-bis(4-chlorophenyl)-4,4,4-trifluorobutan-1-one
CID 164684484
(2S)-1-(4-chlorophenyl)-2-phenyl-3-pyrrolidin-1-ium-1-ylpropan-1-one
CID 6947664
3-(azepan-1-ium-1-yl)-1-(4-chlorophenyl)-2-phenylpropan-1-one
CID 5037308
2-[(4-chlorophenyl)methyl]-1,3-diphenylpropane-1,3-dione
CID 102401186

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(4-chlorophenyl)-1-phenylpropan-1-one?
The IUPAC name of 3-chloro-2-(4-chlorophenyl)-1-phenylpropan-1-one (CID 70489362) is 3-chloro-2-(4-chlorophenyl)-1-phenylpropan-1-one.
What is the SMILES notation for 3-chloro-2-(4-chlorophenyl)-1-phenylpropan-1-one?
The canonical SMILES for 3-chloro-2-(4-chlorophenyl)-1-phenylpropan-1-one is O=C(c1ccccc1)C(CCl)c1ccc(Cl)cc1.
What is the InChIKey of 3-chloro-2-(4-chlorophenyl)-1-phenylpropan-1-one?
The InChIKey is CJESKZTWELMNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O/c16-10-14(11-6-8-13(17)9-7-11)15(18)12-4-2-1-3-5-12/h1-9,14H,10H2.
What are the key properties of 3-chloro-2-(4-chlorophenyl)-1-phenylpropan-1-one?
3-chloro-2-(4-chlorophenyl)-1-phenylpropan-1-one has a molecular weight of 279.17 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(4-chlorophenyl)-1-phenylpropan-1-one is sourced from PubChem (CID 70489362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).