1-(3-chloro-4-hydroxy-5-methylphenyl)ethanone

C9H9ClO2 — CID 679502

IUPAC1-(3-chloro-4-hydroxy-5-methylphenyl)ethanone
SMILESCC(=O)c1cc(C)c(O)c(Cl)c1
InChIInChI=1S/C9H9ClO2/c1-5-3-7(6(2)11)4-8(10)9(5)12/h3-4,12H,1-2H3
InChIKeyVVKKDDJIRZNSMQ-UHFFFAOYSA-N
MW184.62 g/mol
LogP2.56
Rot. Bonds1

About 1-(3-chloro-4-hydroxy-5-methylphenyl)ethanone

1-(3-chloro-4-hydroxy-5-methylphenyl)ethanone (PubChem CID 679502) has the molecular formula C9H9ClO2 and a molecular weight of 184.62 g/mol. Its IUPAC name is 1-(3-chloro-4-hydroxy-5-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-chloro-4-hydroxy-5-methylphenyl)ethanone
PubChem CID679502
Molecular FormulaC9H9ClO2
Molecular Weight184.62 g/mol
Exact Mass184.03
IUPAC Name1-(3-chloro-4-hydroxy-5-methylphenyl)ethanone
SMILESCC(=O)c1cc(C)c(O)c(Cl)c1
InChIInChI=1S/C9H9ClO2/c1-5-3-7(6(2)11)4-8(10)9(5)12/h3-4,12H,1-2H3
InChIKeyVVKKDDJIRZNSMQ-UHFFFAOYSA-N
XLogP2.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.62
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-amino-5-chloro-4-hydroxyphenyl)ethanone
CID 82105974
2-amino-1-(3-chloro-4-hydroxy-5-methylphenyl)propan-1-one
CID 84679949
4-acetyl-2-chloro-6-methylbenzonitrile
CID 171003683
1-(4-chloro-3-methylphenyl)ethanone;ethane
CID 143383173
1-[3-chloro-5-(difluoromethyl)-4-methylphenyl]ethanone
CID 171005721
1-(4-chloro-3-fluoro-5-methylphenyl)ethanone
CID 118845013
1-(4-azido-3,5-dichlorophenyl)ethanone
CID 54201819
2-chloro-6-methyl-4-sulfanylphenol
CID 91874324
5-acetyl-3-chloro-2-methylbenzaldehyde
CID 171003493
1-(3-hydroxy-4-iodo-5-methylphenyl)ethanone
CID 171025847
2-(3-chloro-4-hydroxy-5-methylphenyl)propanoic acid
CID 84783600
1-(4-chloro-2-hydroxy-3,6-dimethylphenyl)ethanone
CID 82607397

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-hydroxy-5-methylphenyl)ethanone?
The IUPAC name of 1-(3-chloro-4-hydroxy-5-methylphenyl)ethanone (CID 679502) is 1-(3-chloro-4-hydroxy-5-methylphenyl)ethanone.
What is the SMILES notation for 1-(3-chloro-4-hydroxy-5-methylphenyl)ethanone?
The canonical SMILES for 1-(3-chloro-4-hydroxy-5-methylphenyl)ethanone is CC(=O)c1cc(C)c(O)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-hydroxy-5-methylphenyl)ethanone?
The InChIKey is VVKKDDJIRZNSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO2/c1-5-3-7(6(2)11)4-8(10)9(5)12/h3-4,12H,1-2H3.
What are the key properties of 1-(3-chloro-4-hydroxy-5-methylphenyl)ethanone?
1-(3-chloro-4-hydroxy-5-methylphenyl)ethanone has a molecular weight of 184.62 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-hydroxy-5-methylphenyl)ethanone is sourced from PubChem (CID 679502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).