1-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)propan-2-one

C13H18O2 — CID 84674442

IUPAC1-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)propan-2-one
SMILESCC(=O)Cc1c(C)ccc(C(C)C)c1O
InChIInChI=1S/C13H18O2/c1-8(2)11-6-5-9(3)12(13(11)15)7-10(4)14/h5-6,8,15H,7H2,1-4H3
InChIKeyXSLJYNSOYJXVCI-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.96
Rot. Bonds3

About 1-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)propan-2-one

1-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)propan-2-one (PubChem CID 84674442) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)propan-2-one
PubChem CID84674442
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name1-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)propan-2-one
SMILESCC(=O)Cc1c(C)ccc(C(C)C)c1O
InChIInChI=1S/C13H18O2/c1-8(2)11-6-5-9(3)12(13(11)15)7-10(4)14/h5-6,8,15H,7H2,1-4H3
InChIKeyXSLJYNSOYJXVCI-UHFFFAOYSA-N
XLogP2.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)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

2-ethyl-3-methyl-6-propan-2-ylphenol
CID 141031385
3-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)-2-methylpropanoic acid
CID 84699462
1-(3-fluoro-2-hydroxy-6-methylphenyl)propan-2-one
CID 84658379
2-(2-hydroxy-3-methyl-6-propan-2-ylphenyl)acetic acid
CID 84676017
2-(4-aminobutyl)-3-methyl-6-propan-2-ylphenol
CID 117317044
1-(2-chloro-3-hydroxy-6-methylphenyl)propan-2-one
CID 144751805
1-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-2-one
CID 117374493
1-(6-chloro-2-hydroxy-3-methylphenyl)propan-2-one
CID 84775039
1-[3-fluoro-2,6-di(propan-2-yl)phenyl]propan-2-one
CID 146613098
1-(2-hydroxy-3,4,6-trimethylphenyl)propan-2-one
CID 117114980
3-(2-hydroxy-3-methyl-6-propan-2-ylphenyl)propanoic acid
CID 84687629
N-[(3S)-1-[(2-hydroxy-6-methyl-3-propan-2-ylphenyl)methyl]piperidin-3-yl]acetamide
CID 97259531

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)propan-2-one?
The IUPAC name of 1-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)propan-2-one (CID 84674442) is 1-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)propan-2-one.
What is the SMILES notation for 1-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)propan-2-one?
The canonical SMILES for 1-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)propan-2-one is CC(=O)Cc1c(C)ccc(C(C)C)c1O.
What is the InChIKey of 1-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)propan-2-one?
The InChIKey is XSLJYNSOYJXVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-8(2)11-6-5-9(3)12(13(11)15)7-10(4)14/h5-6,8,15H,7H2,1-4H3.
What are the key properties of 1-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)propan-2-one?
1-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)propan-2-one has a molecular weight of 206.28 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)propan-2-one is sourced from PubChem (CID 84674442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).