(2R,3S)-3-(3-chlorophenyl)-3-hydroxy-2-methyl-2H-pyran-6-one

C12H11ClO3 — CID 10977520

IUPAC(2R,3S)-3-(3-chlorophenyl)-3-hydroxy-2-methyl-2H-pyran-6-one
SMILESC[C@H]1OC(=O)C=C[C@]1(O)c1cccc(Cl)c1
InChIInChI=1S/C12H11ClO3/c1-8-12(15,6-5-11(14)16-8)9-3-2-4-10(13)7-9/h2-8,15H,1H3/t8-,12-/m1/s1
InChIKeySQBNWFUZLDEOEL-PRHODGIISA-N
MW238.67 g/mol
LogP2.03
Rot. Bonds1

About (2R,3S)-3-(3-chlorophenyl)-3-hydroxy-2-methyl-2H-pyran-6-one

(2R,3S)-3-(3-chlorophenyl)-3-hydroxy-2-methyl-2H-pyran-6-one (PubChem CID 10977520) has the molecular formula C12H11ClO3 and a molecular weight of 238.67 g/mol. Its IUPAC name is (2R,3S)-3-(3-chlorophenyl)-3-hydroxy-2-methyl-2H-pyran-6-one.

Molecular Properties

Compound Name(2R,3S)-3-(3-chlorophenyl)-3-hydroxy-2-methyl-2H-pyran-6-one
PubChem CID10977520
Molecular FormulaC12H11ClO3
Molecular Weight238.67 g/mol
Exact Mass238.04
IUPAC Name(2R,3S)-3-(3-chlorophenyl)-3-hydroxy-2-methyl-2H-pyran-6-one
SMILESC[C@H]1OC(=O)C=C[C@]1(O)c1cccc(Cl)c1
InChIInChI=1S/C12H11ClO3/c1-8-12(15,6-5-11(14)16-8)9-3-2-4-10(13)7-9/h2-8,15H,1H3/t8-,12-/m1/s1
InChIKeySQBNWFUZLDEOEL-PRHODGIISA-N
XLogP2.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R,3S)-3-(3-chlorophenyl)-3-hydroxy-2-methyl-2H-pyran-6-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

4-(3-chlorophenyl)-2,6-dimethylpiperidin-4-ol
CID 170108590
1-(3-chlorophenyl)-2-methylcyclobutane-1-carboxylic acid
CID 66432381
3-(3-chlorophenyl)-3-methylpiperazin-2-one
CID 62352450
4-(3-chlorophenyl)-4-methylpiperidine-2,6-dione
CID 63156120
bis[1-(3-chlorophenyl)cyclopropyl]methanone
CID 141485401
methyl (3S,5R,6R)-6-(3-chlorophenyl)-6-hydroxy-5-methylthiomorpholine-3-carboxylate
CID 141488107
2-(3-chlorophenyl)-2,5-dimethyl-1,3-oxazolidine
CID 117229091
(4S,5S)-5-(3-chlorophenyl)-4-methyl-1,3-oxazolidin-2-one
CID 134527726
1-chloro-3-(1-methylcyclopropyl)benzene;ethane
CID 171088326
methyl 3-(3-chlorophenyl)-2,3-dimethyloxirane-2-carboxylate
CID 66437174
1-chloro-3-(1-isocyanato-3-methylcyclobutyl)benzene
CID 115033071
6-hydroxy-6-(3-methylphenyl)cyclohexa-2,4-diene-1-carbaldehyde
CID 87817177

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-(3-chlorophenyl)-3-hydroxy-2-methyl-2H-pyran-6-one?
The IUPAC name of (2R,3S)-3-(3-chlorophenyl)-3-hydroxy-2-methyl-2H-pyran-6-one (CID 10977520) is (2R,3S)-3-(3-chlorophenyl)-3-hydroxy-2-methyl-2H-pyran-6-one.
What is the SMILES notation for (2R,3S)-3-(3-chlorophenyl)-3-hydroxy-2-methyl-2H-pyran-6-one?
The canonical SMILES for (2R,3S)-3-(3-chlorophenyl)-3-hydroxy-2-methyl-2H-pyran-6-one is C[C@H]1OC(=O)C=C[C@]1(O)c1cccc(Cl)c1.
What is the InChIKey of (2R,3S)-3-(3-chlorophenyl)-3-hydroxy-2-methyl-2H-pyran-6-one?
The InChIKey is SQBNWFUZLDEOEL-PRHODGIISA-N. The full InChI is InChI=1S/C12H11ClO3/c1-8-12(15,6-5-11(14)16-8)9-3-2-4-10(13)7-9/h2-8,15H,1H3/t8-,12-/m1/s1.
What are the key properties of (2R,3S)-3-(3-chlorophenyl)-3-hydroxy-2-methyl-2H-pyran-6-one?
(2R,3S)-3-(3-chlorophenyl)-3-hydroxy-2-methyl-2H-pyran-6-one has a molecular weight of 238.67 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-(3-chlorophenyl)-3-hydroxy-2-methyl-2H-pyran-6-one is sourced from PubChem (CID 10977520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).