2-(2,4,6-trimethylphenyl)butan-2-ol

C13H20O — CID 91656781

IUPAC2-(2,4,6-trimethylphenyl)butan-2-ol
SMILESCCC(C)(O)c1c(C)cc(C)cc1C
InChIInChI=1S/C13H20O/c1-6-13(5,14)12-10(3)7-9(2)8-11(12)4/h7-8,14H,6H2,1-5H3
InChIKeyCGNJTZNDOPHYKF-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.23
Rot. Bonds2

About 2-(2,4,6-trimethylphenyl)butan-2-ol

2-(2,4,6-trimethylphenyl)butan-2-ol (PubChem CID 91656781) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 2-(2,4,6-trimethylphenyl)butan-2-ol.

Molecular Properties

Compound Name2-(2,4,6-trimethylphenyl)butan-2-ol
PubChem CID91656781
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name2-(2,4,6-trimethylphenyl)butan-2-ol
SMILESCCC(C)(O)c1c(C)cc(C)cc1C
InChIInChI=1S/C13H20O/c1-6-13(5,14)12-10(3)7-9(2)8-11(12)4/h7-8,14H,6H2,1-5H3
InChIKeyCGNJTZNDOPHYKF-UHFFFAOYSA-N
XLogP3.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-trimethylphenyl)butan-2-ol?
The IUPAC name of 2-(2,4,6-trimethylphenyl)butan-2-ol (CID 91656781) is 2-(2,4,6-trimethylphenyl)butan-2-ol.
What is the SMILES notation for 2-(2,4,6-trimethylphenyl)butan-2-ol?
The canonical SMILES for 2-(2,4,6-trimethylphenyl)butan-2-ol is CCC(C)(O)c1c(C)cc(C)cc1C.
What is the InChIKey of 2-(2,4,6-trimethylphenyl)butan-2-ol?
The InChIKey is CGNJTZNDOPHYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-6-13(5,14)12-10(3)7-9(2)8-11(12)4/h7-8,14H,6H2,1-5H3.
What are the key properties of 2-(2,4,6-trimethylphenyl)butan-2-ol?
2-(2,4,6-trimethylphenyl)butan-2-ol has a molecular weight of 192.30 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trimethylphenyl)butan-2-ol is sourced from PubChem (CID 91656781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).