1-(5-chloro-4-fluoro-2-hydroxy-3-methylphenyl)ethanone

C9H8ClFO2 — CID 89425768

IUPAC1-(5-chloro-4-fluoro-2-hydroxy-3-methylphenyl)ethanone
SMILESCC(=O)c1cc(Cl)c(F)c(C)c1O
InChIInChI=1S/C9H8ClFO2/c1-4-8(11)7(10)3-6(5(2)12)9(4)13/h3,13H,1-2H3
InChIKeyYYFVCGPYKKXMSK-UHFFFAOYSA-N
MW202.61 g/mol
LogP2.70
Rot. Bonds1

About 1-(5-chloro-4-fluoro-2-hydroxy-3-methylphenyl)ethanone

1-(5-chloro-4-fluoro-2-hydroxy-3-methylphenyl)ethanone (PubChem CID 89425768) has the molecular formula C9H8ClFO2 and a molecular weight of 202.61 g/mol. Its IUPAC name is 1-(5-chloro-4-fluoro-2-hydroxy-3-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(5-chloro-4-fluoro-2-hydroxy-3-methylphenyl)ethanone
PubChem CID89425768
Molecular FormulaC9H8ClFO2
Molecular Weight202.61 g/mol
Exact Mass202.02
IUPAC Name1-(5-chloro-4-fluoro-2-hydroxy-3-methylphenyl)ethanone
SMILESCC(=O)c1cc(Cl)c(F)c(C)c1O
InChIInChI=1S/C9H8ClFO2/c1-4-8(11)7(10)3-6(5(2)12)9(4)13/h3,13H,1-2H3
InChIKeyYYFVCGPYKKXMSK-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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Related Compounds

1-(5-chloro-3-ethyl-4-fluoro-2-hydroxyphenyl)ethanone;ethane
CID 145146839
5-chloro-2,4-dihydroxy-3-methylbenzoic acid
CID 22169093
1-(3-chloro-5-hydroxy-2-methylphenyl)ethanone
CID 89337330
1-(2,3-dihydroxy-4,5-dimethylphenyl)ethanone
CID 117278320
1-(3-chloro-5-ethyl-2-fluorophenyl)ethanone
CID 117289594
1-[3,5-dichloro-4-(chloromethyl)-2-hydroxyphenyl]ethanone
CID 23350188
1-(2-chloro-5-fluoro-4-hydroxyphenyl)ethanone
CID 171003348
1-(5-bromo-3,4-difluoro-2-hydroxyphenyl)ethanone
CID 83900439
1-(5-bromo-2,3-difluoro-4-hydroxyphenyl)ethanone
CID 117380244
1-(3-chloro-2,5,6-trifluorophenyl)ethanone
CID 117298061
1-(3-fluoro-2-hydroxy-4-methylphenyl)ethanone
CID 117276578
1-(3,4,5-trifluoro-2-methylphenyl)ethanone
CID 20552321

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-4-fluoro-2-hydroxy-3-methylphenyl)ethanone?
The IUPAC name of 1-(5-chloro-4-fluoro-2-hydroxy-3-methylphenyl)ethanone (CID 89425768) is 1-(5-chloro-4-fluoro-2-hydroxy-3-methylphenyl)ethanone.
What is the SMILES notation for 1-(5-chloro-4-fluoro-2-hydroxy-3-methylphenyl)ethanone?
The canonical SMILES for 1-(5-chloro-4-fluoro-2-hydroxy-3-methylphenyl)ethanone is CC(=O)c1cc(Cl)c(F)c(C)c1O.
What is the InChIKey of 1-(5-chloro-4-fluoro-2-hydroxy-3-methylphenyl)ethanone?
The InChIKey is YYFVCGPYKKXMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO2/c1-4-8(11)7(10)3-6(5(2)12)9(4)13/h3,13H,1-2H3.
What are the key properties of 1-(5-chloro-4-fluoro-2-hydroxy-3-methylphenyl)ethanone?
1-(5-chloro-4-fluoro-2-hydroxy-3-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-(5-chloro-4-fluoro-2-hydroxy-3-methylphenyl)ethanone is sourced from PubChem (CID 89425768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).