(2R)-1-(3-chlorophenyl)-2-hydroxypropan-1-one

C9H9ClO2 — CID 10219717

IUPAC(2R)-1-(3-chlorophenyl)-2-hydroxypropan-1-one
SMILESC[C@@H](O)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C9H9ClO2/c1-6(11)9(12)7-3-2-4-8(10)5-7/h2-6,11H,1H3/t6-/m1/s1
InChIKeyPRVHLTNNKRCHGO-ZCFIWIBFSA-N
MW184.62 g/mol
LogP1.90
Rot. Bonds2

About (2R)-1-(3-chlorophenyl)-2-hydroxypropan-1-one

(2R)-1-(3-chlorophenyl)-2-hydroxypropan-1-one (PubChem CID 10219717) has the molecular formula C9H9ClO2 and a molecular weight of 184.62 g/mol. Its IUPAC name is (2R)-1-(3-chlorophenyl)-2-hydroxypropan-1-one.

Molecular Properties

Compound Name(2R)-1-(3-chlorophenyl)-2-hydroxypropan-1-one
PubChem CID10219717
Molecular FormulaC9H9ClO2
Molecular Weight184.62 g/mol
Exact Mass184.03
IUPAC Name(2R)-1-(3-chlorophenyl)-2-hydroxypropan-1-one
SMILESC[C@@H](O)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C9H9ClO2/c1-6(11)9(12)7-3-2-4-8(10)5-7/h2-6,11H,1H3/t6-/m1/s1
InChIKeyPRVHLTNNKRCHGO-ZCFIWIBFSA-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

Analyze (2R)-1-(3-chlorophenyl)-2-hydroxypropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

alpha-Hydroxyacetophenone
CID 68490
2-Hydroxy-1-phenyl-1-propanone
CID 101121
4-Chlorophenylglyoxylic acid
CID 145998
1-(4-Chlorophenyl)-2-hydroxyethan-1-one
CID 587085
Ethyl 4-chlorobenzoylformate
CID 2758815
3-Chloro-|A,|A-dioxobenzenebutanoic acid
CID 9991303
4-(3-Chloro-phenyl)-2-hydroxy-4-oxo-butyric acid
CID 18351988
1,2-Bis(4-chlorophenyl)-2-hydroxyethanone
CID 219286
Ethyl 3-chlorobenzoylformate
CID 2758814
4-Chlorobenzoin
CID 13548305
2-Hydroxy-1-(4-methylphenyl)-1-propanone
CID 203918
1-(4-Ethylphenyl)-2-hydroxyethan-1-one
CID 22924489

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-chlorophenyl)-2-hydroxypropan-1-one?
The IUPAC name of (2R)-1-(3-chlorophenyl)-2-hydroxypropan-1-one (CID 10219717) is (2R)-1-(3-chlorophenyl)-2-hydroxypropan-1-one.
What is the SMILES notation for (2R)-1-(3-chlorophenyl)-2-hydroxypropan-1-one?
The canonical SMILES for (2R)-1-(3-chlorophenyl)-2-hydroxypropan-1-one is C[C@@H](O)C(=O)c1cccc(Cl)c1.
What is the InChIKey of (2R)-1-(3-chlorophenyl)-2-hydroxypropan-1-one?
The InChIKey is PRVHLTNNKRCHGO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H9ClO2/c1-6(11)9(12)7-3-2-4-8(10)5-7/h2-6,11H,1H3/t6-/m1/s1.
What are the key properties of (2R)-1-(3-chlorophenyl)-2-hydroxypropan-1-one?
(2R)-1-(3-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 (2R)-1-(3-chlorophenyl)-2-hydroxypropan-1-one is sourced from PubChem (CID 10219717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).