1-(2-hydroxy-3,4,6-trimethylphenyl)propan-2-one

C12H16O2 — CID 117114980

IUPAC1-(2-hydroxy-3,4,6-trimethylphenyl)propan-2-one
SMILESCC(=O)Cc1c(C)cc(C)c(C)c1O
InChIInChI=1S/C12H16O2/c1-7-5-8(2)11(6-9(3)13)12(14)10(7)4/h5,14H,6H2,1-4H3
InChIKeyNMAZSEAPQCIMAR-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.45
Rot. Bonds2

About 1-(2-hydroxy-3,4,6-trimethylphenyl)propan-2-one

1-(2-hydroxy-3,4,6-trimethylphenyl)propan-2-one (PubChem CID 117114980) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-(2-hydroxy-3,4,6-trimethylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(2-hydroxy-3,4,6-trimethylphenyl)propan-2-one
PubChem CID117114980
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name1-(2-hydroxy-3,4,6-trimethylphenyl)propan-2-one
SMILESCC(=O)Cc1c(C)cc(C)c(C)c1O
InChIInChI=1S/C12H16O2/c1-7-5-8(2)11(6-9(3)13)12(14)10(7)4/h5,14H,6H2,1-4H3
InChIKeyNMAZSEAPQCIMAR-UHFFFAOYSA-N
XLogP2.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-hydroxy-3,4,6-trimethylphenyl)propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(6-chloro-2-hydroxy-3-methylphenyl)propan-2-one
CID 84775039
3-(2-hydroxy-3,4,6-trimethylphenyl)propanal
CID 117117757
2-(2-hydroxyethyl)-3,5,6-trimethylphenol
CID 117114395
1-(3-fluoro-2-hydroxy-6-methylphenyl)propan-2-one
CID 84658379
1-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)propan-2-one
CID 84674442
1-[2-methyl-3,4,5-tris(2-oxopropyl)phenyl]propan-2-one
CID 173349975
1-(2,3-dihydroxy-4,5-dimethylphenyl)ethanone
CID 117278320
1-(5-bromo-2-hydroxy-3-methoxy-6-methylphenyl)propan-2-one
CID 84713496
2-[[2-hydroxy-3-[(4-hydroxy-2,3,6-trimethylphenyl)methyl]-5-methylphenyl]methyl]-3,5,6-trimethylphenol
CID 139748783
1-(5-chloro-3-hydroxy-2-methoxy-6-methylphenyl)propan-2-one
CID 117329472
1-(3-chloro-2,5-difluoro-6-hydroxyphenyl)propan-2-one
CID 117314974
1-(5-chloro-2-fluoro-3,6-dihydroxyphenyl)propan-2-one
CID 84786403

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3,4,6-trimethylphenyl)propan-2-one?
The IUPAC name of 1-(2-hydroxy-3,4,6-trimethylphenyl)propan-2-one (CID 117114980) is 1-(2-hydroxy-3,4,6-trimethylphenyl)propan-2-one.
What is the SMILES notation for 1-(2-hydroxy-3,4,6-trimethylphenyl)propan-2-one?
The canonical SMILES for 1-(2-hydroxy-3,4,6-trimethylphenyl)propan-2-one is CC(=O)Cc1c(C)cc(C)c(C)c1O.
What is the InChIKey of 1-(2-hydroxy-3,4,6-trimethylphenyl)propan-2-one?
The InChIKey is NMAZSEAPQCIMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-7-5-8(2)11(6-9(3)13)12(14)10(7)4/h5,14H,6H2,1-4H3.
What are the key properties of 1-(2-hydroxy-3,4,6-trimethylphenyl)propan-2-one?
1-(2-hydroxy-3,4,6-trimethylphenyl)propan-2-one has a molecular weight of 192.26 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3,4,6-trimethylphenyl)propan-2-one is sourced from PubChem (CID 117114980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).