2-chloro-1-(2-chlorophenyl)propan-1-one

C9H8Cl2O — CID 12808115

IUPAC2-chloro-1-(2-chlorophenyl)propan-1-one
SMILESCC(Cl)C(=O)c1ccccc1Cl
InChIInChI=1S/C9H8Cl2O/c1-6(10)9(12)7-4-2-3-5-8(7)11/h2-6H,1H3
InChIKeySGAPLXKLYQSWJY-UHFFFAOYSA-N
MW203.07 g/mol
LogP3.15
Rot. Bonds2

About 2-chloro-1-(2-chlorophenyl)propan-1-one

2-chloro-1-(2-chlorophenyl)propan-1-one (PubChem CID 12808115) has the molecular formula C9H8Cl2O and a molecular weight of 203.07 g/mol. Its IUPAC name is 2-chloro-1-(2-chlorophenyl)propan-1-one.

Molecular Properties

Compound Name2-chloro-1-(2-chlorophenyl)propan-1-one
PubChem CID12808115
Molecular FormulaC9H8Cl2O
Molecular Weight203.07 g/mol
Exact Mass202.00
IUPAC Name2-chloro-1-(2-chlorophenyl)propan-1-one
SMILESCC(Cl)C(=O)c1ccccc1Cl
InChIInChI=1S/C9H8Cl2O/c1-6(10)9(12)7-4-2-3-5-8(7)11/h2-6H,1H3
InChIKeySGAPLXKLYQSWJY-UHFFFAOYSA-N
XLogP3.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.07
LogP ≤ 53.15
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-(2-amino-3-chlorophenyl)-2-chloropropan-1-one
CID 24894470
1-(2-chlorophenyl)-2-hydroxypropan-1-one
CID 11830112
1-(2-chlorophenyl)-2-methylsulfonylpropan-1-one
CID 114963310
2-chloro-1-[3-chloro-2-(trifluoromethoxy)phenyl]propan-1-one
CID 134617645
2-chloro-1-(2-chloro-5-fluorophenyl)propan-1-one
CID 118804223
2-(2-chloropropanoyl)-6-sulfanylbenzonitrile
CID 131169213
(E)-3-[2-(2-chloropropanoyl)phenyl]prop-2-enoic acid
CID 166641799
1-(2-chlorophenyl)-3-(ethylamino)-2-methylpropan-1-one
CID 116565139
1-(2-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropan-1-one
CID 102134587
3-(2-chlorophenyl)-3-oxo-2-(4-propan-2-ylphenyl)propanenitrile
CID 43157209
1-(2-chlorophenyl)ethanone;hydrochloride
CID 174743581
2-chloro-1-[3-(difluoromethyl)-2-methylphenyl]propan-1-one
CID 131415290

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2-chlorophenyl)propan-1-one?
The IUPAC name of 2-chloro-1-(2-chlorophenyl)propan-1-one (CID 12808115) is 2-chloro-1-(2-chlorophenyl)propan-1-one.
What is the SMILES notation for 2-chloro-1-(2-chlorophenyl)propan-1-one?
The canonical SMILES for 2-chloro-1-(2-chlorophenyl)propan-1-one is CC(Cl)C(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-1-(2-chlorophenyl)propan-1-one?
The InChIKey is SGAPLXKLYQSWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O/c1-6(10)9(12)7-4-2-3-5-8(7)11/h2-6H,1H3.
What are the key properties of 2-chloro-1-(2-chlorophenyl)propan-1-one?
2-chloro-1-(2-chlorophenyl)propan-1-one has a molecular weight of 203.07 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2-chlorophenyl)propan-1-one is sourced from PubChem (CID 12808115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).