1-(6-chloro-2-hydroxy-3-methylphenyl)propan-2-one

C10H11ClO2 — CID 84775039

IUPAC1-(6-chloro-2-hydroxy-3-methylphenyl)propan-2-one
SMILESCC(=O)Cc1c(Cl)ccc(C)c1O
InChIInChI=1S/C10H11ClO2/c1-6-3-4-9(11)8(10(6)13)5-7(2)12/h3-4,13H,5H2,1-2H3
InChIKeyXJAXRYIPIJQNSM-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.49
Rot. Bonds2

About 1-(6-chloro-2-hydroxy-3-methylphenyl)propan-2-one

1-(6-chloro-2-hydroxy-3-methylphenyl)propan-2-one (PubChem CID 84775039) has the molecular formula C10H11ClO2 and a molecular weight of 198.65 g/mol. Its IUPAC name is 1-(6-chloro-2-hydroxy-3-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(6-chloro-2-hydroxy-3-methylphenyl)propan-2-one
PubChem CID84775039
Molecular FormulaC10H11ClO2
Molecular Weight198.65 g/mol
Exact Mass198.04
IUPAC Name1-(6-chloro-2-hydroxy-3-methylphenyl)propan-2-one
SMILESCC(=O)Cc1c(Cl)ccc(C)c1O
InChIInChI=1S/C10H11ClO2/c1-6-3-4-9(11)8(10(6)13)5-7(2)12/h3-4,13H,5H2,1-2H3
InChIKeyXJAXRYIPIJQNSM-UHFFFAOYSA-N
XLogP2.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(6-chloro-2-hydroxy-3-methylphenyl)propan-2-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

1-(2-chloro-3-hydroxy-6-methylphenyl)propan-2-one
CID 144751805
2-(aminomethyl)-3-chloro-6-methylphenol
CID 84766114
1-(2-hydroxy-3,4,6-trimethylphenyl)propan-2-one
CID 117114980
1-(3-fluoro-2-hydroxy-6-methylphenyl)propan-2-one
CID 84658379
1-(2-chloro-5-methylphenyl)propan-2-one
CID 58483794
1-(3-bromo-6-chloro-2-fluorophenyl)propan-2-one
CID 84807672
1-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)propan-2-one
CID 84674442
2-(6-chloro-2-fluoro-3-methylphenyl)acetic acid
CID 2773689
6-chloro-2-[(3-chloro-2-hydroxy-6-methylphenyl)methyl]-3-methylphenol
CID 159859683
1-(3-hydroxy-2-methoxy-4-methylphenyl)propan-2-one
CID 117284457
1-(3-chloro-2,5-difluoro-6-hydroxyphenyl)propan-2-one
CID 117314974
1-(5-chloro-2-fluoro-3,6-dihydroxyphenyl)propan-2-one
CID 84786403

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-hydroxy-3-methylphenyl)propan-2-one?
The IUPAC name of 1-(6-chloro-2-hydroxy-3-methylphenyl)propan-2-one (CID 84775039) is 1-(6-chloro-2-hydroxy-3-methylphenyl)propan-2-one.
What is the SMILES notation for 1-(6-chloro-2-hydroxy-3-methylphenyl)propan-2-one?
The canonical SMILES for 1-(6-chloro-2-hydroxy-3-methylphenyl)propan-2-one is CC(=O)Cc1c(Cl)ccc(C)c1O.
What is the InChIKey of 1-(6-chloro-2-hydroxy-3-methylphenyl)propan-2-one?
The InChIKey is XJAXRYIPIJQNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2/c1-6-3-4-9(11)8(10(6)13)5-7(2)12/h3-4,13H,5H2,1-2H3.
What are the key properties of 1-(6-chloro-2-hydroxy-3-methylphenyl)propan-2-one?
1-(6-chloro-2-hydroxy-3-methylphenyl)propan-2-one has a molecular weight of 198.65 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-hydroxy-3-methylphenyl)propan-2-one is sourced from PubChem (CID 84775039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).