1-[4-(difluoromethyl)-5-hydroxy-2-methylphenyl]ethanone

C10H10F2O2 — CID 131330773

IUPAC1-[4-(difluoromethyl)-5-hydroxy-2-methylphenyl]ethanone
SMILESCC(=O)c1cc(O)c(C(F)F)cc1C
InChIInChI=1S/C10H10F2O2/c1-5-3-8(10(11)12)9(14)4-7(5)6(2)13/h3-4,10,14H,1-2H3
InChIKeyHDYSWQLOJYASMY-UHFFFAOYSA-N
MW200.18 g/mol
LogP2.84
Rot. Bonds2

About 1-[4-(difluoromethyl)-5-hydroxy-2-methylphenyl]ethanone

1-[4-(difluoromethyl)-5-hydroxy-2-methylphenyl]ethanone (PubChem CID 131330773) has the molecular formula C10H10F2O2 and a molecular weight of 200.18 g/mol. Its IUPAC name is 1-[4-(difluoromethyl)-5-hydroxy-2-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-(difluoromethyl)-5-hydroxy-2-methylphenyl]ethanone
PubChem CID131330773
Molecular FormulaC10H10F2O2
Molecular Weight200.18 g/mol
Exact Mass200.06
IUPAC Name1-[4-(difluoromethyl)-5-hydroxy-2-methylphenyl]ethanone
SMILESCC(=O)c1cc(O)c(C(F)F)cc1C
InChIInChI=1S/C10H10F2O2/c1-5-3-8(10(11)12)9(14)4-7(5)6(2)13/h3-4,10,14H,1-2H3
InChIKeyHDYSWQLOJYASMY-UHFFFAOYSA-N
XLogP2.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.18
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-hydroxy-2,4-dimethylphenyl)ethanone
CID 119014480
4-acetyl-2-(difluoromethyl)-5-methylbenzaldehyde
CID 171032596
1-[4-chloro-2-(difluoromethyl)-5-hydroxyphenyl]ethanone
CID 171007258
1-[5-amino-2-(difluoromethyl)-4-methylphenyl]ethanone
CID 170996780
1-[5-hydroxy-2-methyl-4-(trifluoromethyl)phenyl]ethanone
CID 171027201
1-[2-amino-4-(difluoromethyl)-5-methylphenyl]ethanone
CID 170996744
1-[4-bromo-2-(difluoromethyl)-5-methylphenyl]ethanone
CID 131328103
1-[2-(difluoromethyl)-4-hydroxy-6-methylphenyl]ethanone
CID 131329925
1-[5-bromo-3-(difluoromethyl)-2-hydroxyphenyl]ethanone
CID 131573374
2-acetyl-4-(difluoromethyl)-5-methylbenzonitrile
CID 131329034
1-[2-chloro-3-(difluoromethyl)-5-hydroxyphenyl]ethanone
CID 171007175
1-[5-[(1R)-1-hydroxyethyl]-2,4-dimethylphenyl]ethanone
CID 131972140

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethyl)-5-hydroxy-2-methylphenyl]ethanone?
The IUPAC name of 1-[4-(difluoromethyl)-5-hydroxy-2-methylphenyl]ethanone (CID 131330773) is 1-[4-(difluoromethyl)-5-hydroxy-2-methylphenyl]ethanone.
What is the SMILES notation for 1-[4-(difluoromethyl)-5-hydroxy-2-methylphenyl]ethanone?
The canonical SMILES for 1-[4-(difluoromethyl)-5-hydroxy-2-methylphenyl]ethanone is CC(=O)c1cc(O)c(C(F)F)cc1C.
What is the InChIKey of 1-[4-(difluoromethyl)-5-hydroxy-2-methylphenyl]ethanone?
The InChIKey is HDYSWQLOJYASMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O2/c1-5-3-8(10(11)12)9(14)4-7(5)6(2)13/h3-4,10,14H,1-2H3.
What are the key properties of 1-[4-(difluoromethyl)-5-hydroxy-2-methylphenyl]ethanone?
1-[4-(difluoromethyl)-5-hydroxy-2-methylphenyl]ethanone has a molecular weight of 200.18 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethyl)-5-hydroxy-2-methylphenyl]ethanone is sourced from PubChem (CID 131330773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).