1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylhexan-2-ol

C19H32O — CID 107892858

IUPAC1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylhexan-2-ol
SMILESCCCC(C)C(O)Cc1c(C)cc(C(C)(C)C)cc1C
InChIInChI=1S/C19H32O/c1-8-9-13(2)18(20)12-17-14(3)10-16(11-15(17)4)19(5,6)7/h10-11,13,18,20H,8-9,12H2,1-7H3
InChIKeyZNPJHPAFOHBHEI-UHFFFAOYSA-N
MW276.46 g/mol
LogP4.94
Rot. Bonds5

About 1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylhexan-2-ol

1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylhexan-2-ol (PubChem CID 107892858) has the molecular formula C19H32O and a molecular weight of 276.46 g/mol. Its IUPAC name is 1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylhexan-2-ol.

Molecular Properties

Compound Name1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylhexan-2-ol
PubChem CID107892858
Molecular FormulaC19H32O
Molecular Weight276.46 g/mol
Exact Mass276.25
IUPAC Name1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylhexan-2-ol
SMILESCCCC(C)C(O)Cc1c(C)cc(C(C)(C)C)cc1C
InChIInChI=1S/C19H32O/c1-8-9-13(2)18(20)12-17-14(3)10-16(11-15(17)4)19(5,6)7/h10-11,13,18,20H,8-9,12H2,1-7H3
InChIKeyZNPJHPAFOHBHEI-UHFFFAOYSA-N
XLogP4.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.46
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-tert-butyl-2,6-dimethylphenyl)pentan-2-ol
CID 60797367
1-(4-tert-butyl-2,6-dimethylphenyl)butan-2-ol
CID 60798417
4-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-1-amine
CID 116924866
1-(4-tert-butyl-2,6-dimethylphenyl)hex-5-yn-2-ol
CID 63657471
1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-2-amine
CID 60818626
1-(cyclohexen-1-yl)-3-methylhexan-2-ol
CID 107893039
3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol
CID 107894694
3-methyl-1-phenylhexan-2-ol
CID 63018482
3-methyl-4-(2,4,6-trimethylphenyl)butan-2-ol
CID 11229524
1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbut-3-en-2-amine
CID 79189836
1-(3,5-dimethylphenyl)-2-methylpentan-1-ol
CID 63901831
(4R)-4-methylheptan-3-ol
CID 12799251

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylhexan-2-ol?
The IUPAC name of 1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylhexan-2-ol (CID 107892858) is 1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylhexan-2-ol.
What is the SMILES notation for 1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylhexan-2-ol?
The canonical SMILES for 1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylhexan-2-ol is CCCC(C)C(O)Cc1c(C)cc(C(C)(C)C)cc1C.
What is the InChIKey of 1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylhexan-2-ol?
The InChIKey is ZNPJHPAFOHBHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O/c1-8-9-13(2)18(20)12-17-14(3)10-16(11-15(17)4)19(5,6)7/h10-11,13,18,20H,8-9,12H2,1-7H3.
What are the key properties of 1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylhexan-2-ol?
1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylhexan-2-ol has a molecular weight of 276.46 g/mol, XLogP of 4.94, 5 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)-3-methylhexan-2-ol is sourced from PubChem (CID 107892858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).