1-(4-chloro-2-hydroxy-3,6-dimethylphenyl)ethanone

C10H11ClO2 — CID 82607397

IUPAC1-(4-chloro-2-hydroxy-3,6-dimethylphenyl)ethanone
SMILESCC(=O)c1c(C)cc(Cl)c(C)c1O
InChIInChI=1S/C10H11ClO2/c1-5-4-8(11)6(2)10(13)9(5)7(3)12/h4,13H,1-3H3
InChIKeyFZAANOLGRTYDQM-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.87
Rot. Bonds1

About 1-(4-chloro-2-hydroxy-3,6-dimethylphenyl)ethanone

1-(4-chloro-2-hydroxy-3,6-dimethylphenyl)ethanone (PubChem CID 82607397) has the molecular formula C10H11ClO2 and a molecular weight of 198.65 g/mol. Its IUPAC name is 1-(4-chloro-2-hydroxy-3,6-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-chloro-2-hydroxy-3,6-dimethylphenyl)ethanone
PubChem CID82607397
Molecular FormulaC10H11ClO2
Molecular Weight198.65 g/mol
Exact Mass198.04
IUPAC Name1-(4-chloro-2-hydroxy-3,6-dimethylphenyl)ethanone
SMILESCC(=O)c1c(C)cc(Cl)c(C)c1O
InChIInChI=1S/C10H11ClO2/c1-5-4-8(11)6(2)10(13)9(5)7(3)12/h4,13H,1-3H3
InChIKeyFZAANOLGRTYDQM-UHFFFAOYSA-N
XLogP2.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2-hydroxy-3,6-dimethylphenyl)-2-oxoacetic acid
CID 117329357
1-(5-chloro-2-hydroxy-3,6-dimethylphenyl)butan-1-one
CID 82266653
1-(3,6-dihydroxy-2,4-dimethylphenyl)ethanone
CID 12523113
2-amino-6-chloro-3,4-dimethylphenol
CID 45120159
1-[2-chloro-4-(difluoromethyl)-6-methylphenyl]ethanone
CID 171005887
1-(3-chloro-4-hydroxy-5-methylphenyl)ethanone
CID 679502
1-(3-chloro-5-hydroxy-2-methylphenyl)ethanone
CID 89337330
1-(2,4,6-trimethylphenyl)ethanone;hydrochloride
CID 131862336
3-chloro-4,5-dimethylphenol
CID 5324739
1-(2-bromo-4-chloro-6-methylphenyl)ethanone
CID 131308865
1-(2-hydroxy-4,6-dimethylphenyl)ethanone
CID 139057763
1-(2,3-dihydroxy-4,5-dimethylphenyl)ethanone
CID 117278320

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-hydroxy-3,6-dimethylphenyl)ethanone?
The IUPAC name of 1-(4-chloro-2-hydroxy-3,6-dimethylphenyl)ethanone (CID 82607397) is 1-(4-chloro-2-hydroxy-3,6-dimethylphenyl)ethanone.
What is the SMILES notation for 1-(4-chloro-2-hydroxy-3,6-dimethylphenyl)ethanone?
The canonical SMILES for 1-(4-chloro-2-hydroxy-3,6-dimethylphenyl)ethanone is CC(=O)c1c(C)cc(Cl)c(C)c1O.
What is the InChIKey of 1-(4-chloro-2-hydroxy-3,6-dimethylphenyl)ethanone?
The InChIKey is FZAANOLGRTYDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2/c1-5-4-8(11)6(2)10(13)9(5)7(3)12/h4,13H,1-3H3.
What are the key properties of 1-(4-chloro-2-hydroxy-3,6-dimethylphenyl)ethanone?
1-(4-chloro-2-hydroxy-3,6-dimethylphenyl)ethanone has a molecular weight of 198.65 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-hydroxy-3,6-dimethylphenyl)ethanone is sourced from PubChem (CID 82607397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).