1-(3-fluoro-2-hydroxy-6-methylphenyl)propan-2-one

C10H11FO2 — CID 84658379

IUPAC1-(3-fluoro-2-hydroxy-6-methylphenyl)propan-2-one
SMILESCC(=O)Cc1c(C)ccc(F)c1O
InChIInChI=1S/C10H11FO2/c1-6-3-4-9(11)10(13)8(6)5-7(2)12/h3-4,13H,5H2,1-2H3
InChIKeyCRYQBWHZLXIDEC-UHFFFAOYSA-N
MW182.19 g/mol
LogP1.97
Rot. Bonds2

About 1-(3-fluoro-2-hydroxy-6-methylphenyl)propan-2-one

1-(3-fluoro-2-hydroxy-6-methylphenyl)propan-2-one (PubChem CID 84658379) has the molecular formula C10H11FO2 and a molecular weight of 182.19 g/mol. Its IUPAC name is 1-(3-fluoro-2-hydroxy-6-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(3-fluoro-2-hydroxy-6-methylphenyl)propan-2-one
PubChem CID84658379
Molecular FormulaC10H11FO2
Molecular Weight182.19 g/mol
Exact Mass182.07
IUPAC Name1-(3-fluoro-2-hydroxy-6-methylphenyl)propan-2-one
SMILESCC(=O)Cc1c(C)ccc(F)c1O
InChIInChI=1S/C10H11FO2/c1-6-3-4-9(11)10(13)8(6)5-7(2)12/h3-4,13H,5H2,1-2H3
InChIKeyCRYQBWHZLXIDEC-UHFFFAOYSA-N
XLogP1.97
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-6-fluoro-2-hydroxyphenyl)propan-2-one
CID 83900120
1-(2-fluoro-6-methylphenyl)propan-2-one
CID 84765067
1-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)propan-2-one
CID 84674442
1-(2,3-difluoro-6-hydroxyphenyl)propan-2-one
CID 83876626
1-(2-chloro-3-hydroxy-6-methylphenyl)propan-2-one
CID 144751805
(3-fluoro-2-hydroxy-6-methylphenyl)methanesulfonyl chloride
CID 117349733
6-fluoro-3-methyl-2-[2-(methylamino)ethyl]phenol
CID 84659094
1-(6-chloro-2-hydroxy-3-methylphenyl)propan-2-one
CID 84775039
1-(2-hydroxy-3,4,6-trimethylphenyl)propan-2-one
CID 117114980
1-(3-chloro-2,5-difluoro-6-hydroxyphenyl)propan-2-one
CID 117314974
3-fluoro-2-hydroxy-6-methylbenzoic acid
CID 64855766
2,6-difluoro-3-methylphenol;ethane
CID 143572521

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-hydroxy-6-methylphenyl)propan-2-one?
The IUPAC name of 1-(3-fluoro-2-hydroxy-6-methylphenyl)propan-2-one (CID 84658379) is 1-(3-fluoro-2-hydroxy-6-methylphenyl)propan-2-one.
What is the SMILES notation for 1-(3-fluoro-2-hydroxy-6-methylphenyl)propan-2-one?
The canonical SMILES for 1-(3-fluoro-2-hydroxy-6-methylphenyl)propan-2-one is CC(=O)Cc1c(C)ccc(F)c1O.
What is the InChIKey of 1-(3-fluoro-2-hydroxy-6-methylphenyl)propan-2-one?
The InChIKey is CRYQBWHZLXIDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2/c1-6-3-4-9(11)10(13)8(6)5-7(2)12/h3-4,13H,5H2,1-2H3.
What are the key properties of 1-(3-fluoro-2-hydroxy-6-methylphenyl)propan-2-one?
1-(3-fluoro-2-hydroxy-6-methylphenyl)propan-2-one has a molecular weight of 182.19 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-hydroxy-6-methylphenyl)propan-2-one is sourced from PubChem (CID 84658379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).