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

C16H26O — CID 116964129

IUPAC2-(4-tert-butyl-2,6-dimethylphenyl)butan-1-ol
SMILESCCC(CO)c1c(C)cc(C(C)(C)C)cc1C
InChIInChI=1S/C16H26O/c1-7-13(10-17)15-11(2)8-14(9-12(15)3)16(4,5)6/h8-9,13,17H,7,10H2,1-6H3
InChIKeyVDDPKMAJHWQZNO-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.09
Rot. Bonds3

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

2-(4-tert-butyl-2,6-dimethylphenyl)butan-1-ol (PubChem CID 116964129) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 2-(4-tert-butyl-2,6-dimethylphenyl)butan-1-ol.

Molecular Properties

Compound Name2-(4-tert-butyl-2,6-dimethylphenyl)butan-1-ol
PubChem CID116964129
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name2-(4-tert-butyl-2,6-dimethylphenyl)butan-1-ol
SMILESCCC(CO)c1c(C)cc(C(C)(C)C)cc1C
InChIInChI=1S/C16H26O/c1-7-13(10-17)15-11(2)8-14(9-12(15)3)16(4,5)6/h8-9,13,17H,7,10H2,1-6H3
InChIKeyVDDPKMAJHWQZNO-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-2-(4-tert-butyl-2,6-dimethylphenyl)propan-1-ol
CID 82291424
2-(2,4,6-trimethylphenyl)propane-1,3-diol
CID 82112091
1-(4-tert-butyl-2,6-dimethylphenyl)butan-2-ol
CID 60798417
4-methyl-2-(2,4,6-trimethylphenyl)pentan-1-ol
CID 82079911
2-(4-methoxy-3,5-dimethylphenyl)butan-1-ol
CID 116964178
2-(4-fluoro-3-methylphenyl)butan-1-ol
CID 82075115
2-(2-methoxy-4,5-dimethylphenyl)butan-1-ol
CID 82077689
2-(3-methoxy-4-methylphenyl)butan-1-ol
CID 139504441
2-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]propan-1-ol
CID 112695464
4-hex-5-yn-3-yl-3,5-dimethylphenol
CID 83923484
2-(aminomethyl)-4-(4-ethoxy-2,6-dimethylphenyl)hexan-1-ol
CID 83940191
(4-tert-butyl-N,2,6-trimethylanilino)methanol
CID 115228844

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2,6-dimethylphenyl)butan-1-ol?
The IUPAC name of 2-(4-tert-butyl-2,6-dimethylphenyl)butan-1-ol (CID 116964129) is 2-(4-tert-butyl-2,6-dimethylphenyl)butan-1-ol.
What is the SMILES notation for 2-(4-tert-butyl-2,6-dimethylphenyl)butan-1-ol?
The canonical SMILES for 2-(4-tert-butyl-2,6-dimethylphenyl)butan-1-ol is CCC(CO)c1c(C)cc(C(C)(C)C)cc1C.
What is the InChIKey of 2-(4-tert-butyl-2,6-dimethylphenyl)butan-1-ol?
The InChIKey is VDDPKMAJHWQZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-7-13(10-17)15-11(2)8-14(9-12(15)3)16(4,5)6/h8-9,13,17H,7,10H2,1-6H3.
What are the key properties of 2-(4-tert-butyl-2,6-dimethylphenyl)butan-1-ol?
2-(4-tert-butyl-2,6-dimethylphenyl)butan-1-ol has a molecular weight of 234.38 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2,6-dimethylphenyl)butan-1-ol is sourced from PubChem (CID 116964129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).