4-(2-hydroxypropan-2-yl)-2,3,6-trimethylphenol

C12H18O2 — CID 117113905

IUPAC4-(2-hydroxypropan-2-yl)-2,3,6-trimethylphenol
SMILESCc1cc(C(C)(C)O)c(C)c(C)c1O
InChIInChI=1S/C12H18O2/c1-7-6-10(12(4,5)14)8(2)9(3)11(7)13/h6,13-14H,1-5H3
InChIKeyLKQTYMVWKPPLMF-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.54
Rot. Bonds1

About 4-(2-hydroxypropan-2-yl)-2,3,6-trimethylphenol

4-(2-hydroxypropan-2-yl)-2,3,6-trimethylphenol (PubChem CID 117113905) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 4-(2-hydroxypropan-2-yl)-2,3,6-trimethylphenol.

Molecular Properties

Compound Name4-(2-hydroxypropan-2-yl)-2,3,6-trimethylphenol
PubChem CID117113905
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name4-(2-hydroxypropan-2-yl)-2,3,6-trimethylphenol
SMILESCc1cc(C(C)(C)O)c(C)c(C)c1O
InChIInChI=1S/C12H18O2/c1-7-6-10(12(4,5)14)8(2)9(3)11(7)13/h6,13-14H,1-5H3
InChIKeyLKQTYMVWKPPLMF-UHFFFAOYSA-N
XLogP2.54
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(2-hydroxypropan-2-yl)-2,3,6-trimethylphenol 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

4-(2-aminopropan-2-yl)-2,3,6-trimethylphenol
CID 117111890
2-[2,4,5-tris(2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 59095314
2,3,5-trimethylbenzene-1,4-diol
CID 87406815
2-tert-butyl-5-(2-hydroxypropan-2-yl)-4-methylphenol
CID 117318718
actinium;2,3,5-trimethylbenzene-1,4-diol
CID 22949987
2-fluoro-3-(2-hydroxypropan-2-yl)-6-methoxy-5-methylphenol
CID 117305491
6-tert-butyl-2,3,4-trimethylphenol;2,6-ditert-butyl-4-methylphenol;methane
CID 159742273
4-[2-[4-hydroxy-2,5-dimethyl-3-(methylamino)phenyl]propan-2-yl]-3,6-dimethyl-2-(methylamino)phenol
CID 87414079
2-(3-chloro-2,5-dimethylphenyl)propan-2-ol
CID 84668610
1,1,1-trifluoro-2-[5-(2-hydroxypropan-2-yl)-2,4-dimethylphenyl]propan-2-ol
CID 118176007
2-(2-hydroxypropan-2-yl)-4-iodo-5-methylphenol
CID 162410657
2-tert-butyl-4-[(E)-2-(3-tert-butyl-4-hydroxy-5-methylphenyl)ethenyl]-6-methylphenol
CID 22321426

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypropan-2-yl)-2,3,6-trimethylphenol?
The IUPAC name of 4-(2-hydroxypropan-2-yl)-2,3,6-trimethylphenol (CID 117113905) is 4-(2-hydroxypropan-2-yl)-2,3,6-trimethylphenol.
What is the SMILES notation for 4-(2-hydroxypropan-2-yl)-2,3,6-trimethylphenol?
The canonical SMILES for 4-(2-hydroxypropan-2-yl)-2,3,6-trimethylphenol is Cc1cc(C(C)(C)O)c(C)c(C)c1O.
What is the InChIKey of 4-(2-hydroxypropan-2-yl)-2,3,6-trimethylphenol?
The InChIKey is LKQTYMVWKPPLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-7-6-10(12(4,5)14)8(2)9(3)11(7)13/h6,13-14H,1-5H3.
What are the key properties of 4-(2-hydroxypropan-2-yl)-2,3,6-trimethylphenol?
4-(2-hydroxypropan-2-yl)-2,3,6-trimethylphenol has a molecular weight of 194.27 g/mol, XLogP of 2.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypropan-2-yl)-2,3,6-trimethylphenol is sourced from PubChem (CID 117113905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).