1-(2-chlorophenyl)-2-hydroxypropan-1-one

C9H9ClO2 — CID 11830112

IUPAC1-(2-chlorophenyl)-2-hydroxypropan-1-one
SMILESCC(O)C(=O)c1ccccc1Cl
InChIInChI=1S/C9H9ClO2/c1-6(11)9(12)7-4-2-3-5-8(7)10/h2-6,11H,1H3
InChIKeyHCKFWJUNIITGLT-UHFFFAOYSA-N
MW184.62 g/mol
LogP1.90
Rot. Bonds2

About 1-(2-chlorophenyl)-2-hydroxypropan-1-one

1-(2-chlorophenyl)-2-hydroxypropan-1-one (PubChem CID 11830112) has the molecular formula C9H9ClO2 and a molecular weight of 184.62 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-hydroxypropan-1-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-hydroxypropan-1-one
PubChem CID11830112
Molecular FormulaC9H9ClO2
Molecular Weight184.62 g/mol
Exact Mass184.03
IUPAC Name1-(2-chlorophenyl)-2-hydroxypropan-1-one
SMILESCC(O)C(=O)c1ccccc1Cl
InChIInChI=1S/C9H9ClO2/c1-6(11)9(12)7-4-2-3-5-8(7)10/h2-6,11H,1H3
InChIKeyHCKFWJUNIITGLT-UHFFFAOYSA-N
XLogP1.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.62
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-1-(2-chlorophenyl)propan-1-one
CID 12808115
1-(2-chlorophenyl)-2-methylsulfonylpropan-1-one
CID 114963310
1-(2-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropan-1-one
CID 102134587
1-(2-chlorophenyl)-2-cyclopropyl-2-hydroxyethanone
CID 103455715
1-(2-chlorophenyl)-3-(ethylamino)-2-methylpropan-1-one
CID 116565139
3-(2-chlorophenyl)-3-oxo-2-(4-propan-2-ylphenyl)propanenitrile
CID 43157209
1-(2-chlorophenyl)ethanone;hydrochloride
CID 174743581
methyl 3-(2-chlorophenyl)-2-fluoro-3-oxopropanoate
CID 105488730
2-[(2-chlorobenzoyl)-methylamino]propanoic acid
CID 62626876
1-(2-chlorophenyl)-2-methyl-5-phenylpentane-1,3,5-trione
CID 19847705
2-chloro-N-(5-methylhexan-2-yl)benzamide
CID 78789541
2-bromo-1-(2-chlorophenyl)-2-(4-methylphenyl)ethanone
CID 143364399

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-hydroxypropan-1-one?
The IUPAC name of 1-(2-chlorophenyl)-2-hydroxypropan-1-one (CID 11830112) is 1-(2-chlorophenyl)-2-hydroxypropan-1-one.
What is the SMILES notation for 1-(2-chlorophenyl)-2-hydroxypropan-1-one?
The canonical SMILES for 1-(2-chlorophenyl)-2-hydroxypropan-1-one is CC(O)C(=O)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-hydroxypropan-1-one?
The InChIKey is HCKFWJUNIITGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO2/c1-6(11)9(12)7-4-2-3-5-8(7)10/h2-6,11H,1H3.
What are the key properties of 1-(2-chlorophenyl)-2-hydroxypropan-1-one?
1-(2-chlorophenyl)-2-hydroxypropan-1-one has a molecular weight of 184.62 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-hydroxypropan-1-one is sourced from PubChem (CID 11830112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).