1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)ethanone

C9H8ClFO2 — CID 84671094

IUPAC1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)ethanone
SMILESCC(=O)c1c(C)c(F)cc(Cl)c1O
InChIInChI=1S/C9H8ClFO2/c1-4-7(11)3-6(10)9(13)8(4)5(2)12/h3,13H,1-2H3
InChIKeyYRZPSUBGKONENO-UHFFFAOYSA-N
MW202.61 g/mol
LogP2.70
Rot. Bonds1

About 1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)ethanone

1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)ethanone (PubChem CID 84671094) has the molecular formula C9H8ClFO2 and a molecular weight of 202.61 g/mol. Its IUPAC name is 1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)ethanone
PubChem CID84671094
Molecular FormulaC9H8ClFO2
Molecular Weight202.61 g/mol
Exact Mass202.02
IUPAC Name1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)ethanone
SMILESCC(=O)c1c(C)c(F)cc(Cl)c1O
InChIInChI=1S/C9H8ClFO2/c1-4-7(11)3-6(10)9(13)8(4)5(2)12/h3,13H,1-2H3
InChIKeyYRZPSUBGKONENO-UHFFFAOYSA-N
XLogP2.70
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.61
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)ethanone?
The IUPAC name of 1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)ethanone (CID 84671094) is 1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)ethanone.
What is the SMILES notation for 1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)ethanone?
The canonical SMILES for 1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)ethanone is CC(=O)c1c(C)c(F)cc(Cl)c1O.
What is the InChIKey of 1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)ethanone?
The InChIKey is YRZPSUBGKONENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO2/c1-4-7(11)3-6(10)9(13)8(4)5(2)12/h3,13H,1-2H3.
What are the key properties of 1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)ethanone?
1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)ethanone has a molecular weight of 202.61 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)ethanone is sourced from PubChem (CID 84671094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).