1-(4-fluoro-2-hydroxy-3-methoxy-6-methylphenyl)ethanone

C10H11FO3 — CID 84668084

IUPAC1-(4-fluoro-2-hydroxy-3-methoxy-6-methylphenyl)ethanone
SMILESCOc1c(F)cc(C)c(C(C)=O)c1O
InChIInChI=1S/C10H11FO3/c1-5-4-7(11)10(14-3)9(13)8(5)6(2)12/h4,13H,1-3H3
InChIKeyMIONNBKTBFRSCW-UHFFFAOYSA-N
MW198.19 g/mol
LogP2.05
Rot. Bonds2

About 1-(4-fluoro-2-hydroxy-3-methoxy-6-methylphenyl)ethanone

1-(4-fluoro-2-hydroxy-3-methoxy-6-methylphenyl)ethanone (PubChem CID 84668084) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is 1-(4-fluoro-2-hydroxy-3-methoxy-6-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-fluoro-2-hydroxy-3-methoxy-6-methylphenyl)ethanone
PubChem CID84668084
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name1-(4-fluoro-2-hydroxy-3-methoxy-6-methylphenyl)ethanone
SMILESCOc1c(F)cc(C)c(C(C)=O)c1O
InChIInChI=1S/C10H11FO3/c1-5-4-7(11)10(14-3)9(13)8(5)6(2)12/h4,13H,1-3H3
InChIKeyMIONNBKTBFRSCW-UHFFFAOYSA-N
XLogP2.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-fluoro-2-methoxy-3-methylphenyl)ethanone
CID 84658393
1-(2-fluoro-4-methoxy-6-methylphenyl)ethanone
CID 171014376
methyl 3-acetyl-2,5-difluoro-4-methoxybenzoate
CID 175282660
1-(3,5-difluoro-4-methoxyphenyl)ethanone
CID 2736983
1-(3-fluoro-6-hydroxy-2-methoxyphenyl)ethanone
CID 14118953
1-(3-chloro-5-fluoro-2-hydroxy-4-methoxyphenyl)ethanone
CID 84786410
1-(4-fluoro-2-hydroxy-3-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid
CID 117388603
1-(2,6-difluoro-3,5-dimethoxy-4-methylphenyl)ethanone
CID 175220601
1-(3-chloro-2-fluoro-5-hydroxy-6-methoxyphenyl)ethanone
CID 117311544
1-(2-fluoro-4-hydroxy-6-methoxyphenyl)ethanone
CID 84769280
1-(2-bromo-6-methoxy-3,5-dimethylphenyl)ethanone
CID 84709029
1-(2,3-dimethoxy-5,6-dimethylphenyl)ethanone
CID 117297608

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-hydroxy-3-methoxy-6-methylphenyl)ethanone?
The IUPAC name of 1-(4-fluoro-2-hydroxy-3-methoxy-6-methylphenyl)ethanone (CID 84668084) is 1-(4-fluoro-2-hydroxy-3-methoxy-6-methylphenyl)ethanone.
What is the SMILES notation for 1-(4-fluoro-2-hydroxy-3-methoxy-6-methylphenyl)ethanone?
The canonical SMILES for 1-(4-fluoro-2-hydroxy-3-methoxy-6-methylphenyl)ethanone is COc1c(F)cc(C)c(C(C)=O)c1O.
What is the InChIKey of 1-(4-fluoro-2-hydroxy-3-methoxy-6-methylphenyl)ethanone?
The InChIKey is MIONNBKTBFRSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3/c1-5-4-7(11)10(14-3)9(13)8(5)6(2)12/h4,13H,1-3H3.
What are the key properties of 1-(4-fluoro-2-hydroxy-3-methoxy-6-methylphenyl)ethanone?
1-(4-fluoro-2-hydroxy-3-methoxy-6-methylphenyl)ethanone has a molecular weight of 198.19 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-hydroxy-3-methoxy-6-methylphenyl)ethanone is sourced from PubChem (CID 84668084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).