2-chloro-2-(4-chlorophenyl)-1-phenylethanone

C14H10Cl2O — CID 14247251

IUPAC2-chloro-2-(4-chlorophenyl)-1-phenylethanone
SMILESO=C(c1ccccc1)C(Cl)c1ccc(Cl)cc1
InChIInChI=1S/C14H10Cl2O/c15-12-8-6-10(7-9-12)13(16)14(17)11-4-2-1-3-5-11/h1-9,13H
InChIKeyCTYUPJDTRAKZSY-UHFFFAOYSA-N
MW265.14 g/mol
LogP4.50
Rot. Bonds3

About 2-chloro-2-(4-chlorophenyl)-1-phenylethanone

2-chloro-2-(4-chlorophenyl)-1-phenylethanone (PubChem CID 14247251) has the molecular formula C14H10Cl2O and a molecular weight of 265.14 g/mol. Its IUPAC name is 2-chloro-2-(4-chlorophenyl)-1-phenylethanone.

Molecular Properties

Compound Name2-chloro-2-(4-chlorophenyl)-1-phenylethanone
PubChem CID14247251
Molecular FormulaC14H10Cl2O
Molecular Weight265.14 g/mol
Exact Mass264.01
IUPAC Name2-chloro-2-(4-chlorophenyl)-1-phenylethanone
SMILESO=C(c1ccccc1)C(Cl)c1ccc(Cl)cc1
InChIInChI=1S/C14H10Cl2O/c15-12-8-6-10(7-9-12)13(16)14(17)11-4-2-1-3-5-11/h1-9,13H
InChIKeyCTYUPJDTRAKZSY-UHFFFAOYSA-N
XLogP4.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.14
LogP ≤ 54.50
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

2-chloro-2-(4-methylsulfanylphenyl)-1-phenylethanone
CID 54342161
2-chloro-1-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 88827170
2-chloro-2-(4-nitrophenyl)-1-phenylethanone
CID 12546973
3-chloro-2-(4-chlorophenyl)-1-phenylpropan-1-one
CID 70489362
1,3-dichloro-1,3-bis(4-chlorophenyl)propan-2-one
CID 151410924
2-[(4-chlorophenyl)methyl]-1,3-diphenylpropane-1,3-dione
CID 102401186
[(1R,2S)-1-(4-chlorophenyl)-1-methoxy-3-oxo-3-phenylpropan-2-yl]-methylazanium
CID 7353670
(2R)-1-(4-chlorophenyl)-2-phenylpropan-1-one
CID 86308998
phenyl 2-(4-chlorophenyl)-3-oxo-3-phenylpropanoate
CID 150624704
1-(3-bromo-4-fluorophenyl)-2-chloro-2-phenylethanone
CID 107957005
2-chloro-1-(4-ethenylphenyl)-2-phenylethanone
CID 146008003
methyl 4-(2-chloro-2-phenylacetyl)benzoate
CID 146011085

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(4-chlorophenyl)-1-phenylethanone?
The IUPAC name of 2-chloro-2-(4-chlorophenyl)-1-phenylethanone (CID 14247251) is 2-chloro-2-(4-chlorophenyl)-1-phenylethanone.
What is the SMILES notation for 2-chloro-2-(4-chlorophenyl)-1-phenylethanone?
The canonical SMILES for 2-chloro-2-(4-chlorophenyl)-1-phenylethanone is O=C(c1ccccc1)C(Cl)c1ccc(Cl)cc1.
What is the InChIKey of 2-chloro-2-(4-chlorophenyl)-1-phenylethanone?
The InChIKey is CTYUPJDTRAKZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O/c15-12-8-6-10(7-9-12)13(16)14(17)11-4-2-1-3-5-11/h1-9,13H.
What are the key properties of 2-chloro-2-(4-chlorophenyl)-1-phenylethanone?
2-chloro-2-(4-chlorophenyl)-1-phenylethanone has a molecular weight of 265.14 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(4-chlorophenyl)-1-phenylethanone is sourced from PubChem (CID 14247251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).