1-(4-tert-butyl-2,6-dimethylphenyl)butan-2-ol

C16H26O — CID 60798417

IUPAC1-(4-tert-butyl-2,6-dimethylphenyl)butan-2-ol
SMILESCCC(O)Cc1c(C)cc(C(C)(C)C)cc1C
InChIInChI=1S/C16H26O/c1-7-14(17)10-15-11(2)8-13(9-12(15)3)16(4,5)6/h8-9,14,17H,7,10H2,1-6H3
InChIKeyKONKAFXVEVHJTR-UHFFFAOYSA-N
MW234.38 g/mol
LogP3.91
Rot. Bonds3

About 1-(4-tert-butyl-2,6-dimethylphenyl)butan-2-ol

1-(4-tert-butyl-2,6-dimethylphenyl)butan-2-ol (PubChem CID 60798417) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 1-(4-tert-butyl-2,6-dimethylphenyl)butan-2-ol.

Molecular Properties

Compound Name1-(4-tert-butyl-2,6-dimethylphenyl)butan-2-ol
PubChem CID60798417
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name1-(4-tert-butyl-2,6-dimethylphenyl)butan-2-ol
SMILESCCC(O)Cc1c(C)cc(C(C)(C)C)cc1C
InChIInChI=1S/C16H26O/c1-7-14(17)10-15-11(2)8-13(9-12(15)3)16(4,5)6/h8-9,14,17H,7,10H2,1-6H3
InChIKeyKONKAFXVEVHJTR-UHFFFAOYSA-N
XLogP3.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-2,6-dimethylphenyl)butan-2-ol?
The IUPAC name of 1-(4-tert-butyl-2,6-dimethylphenyl)butan-2-ol (CID 60798417) is 1-(4-tert-butyl-2,6-dimethylphenyl)butan-2-ol.
What is the SMILES notation for 1-(4-tert-butyl-2,6-dimethylphenyl)butan-2-ol?
The canonical SMILES for 1-(4-tert-butyl-2,6-dimethylphenyl)butan-2-ol is CCC(O)Cc1c(C)cc(C(C)(C)C)cc1C.
What is the InChIKey of 1-(4-tert-butyl-2,6-dimethylphenyl)butan-2-ol?
The InChIKey is KONKAFXVEVHJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-7-14(17)10-15-11(2)8-13(9-12(15)3)16(4,5)6/h8-9,14,17H,7,10H2,1-6H3.
What are the key properties of 1-(4-tert-butyl-2,6-dimethylphenyl)butan-2-ol?
1-(4-tert-butyl-2,6-dimethylphenyl)butan-2-ol has a molecular weight of 234.38 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-2,6-dimethylphenyl)butan-2-ol is sourced from PubChem (CID 60798417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).