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

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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).