2-(5-tert-butyl-2-methylphenyl)-3-methylbutan-1-ol

C16H26O — CID 82083216

IUPAC2-(5-tert-butyl-2-methylphenyl)-3-methylbutan-1-ol
SMILESCc1ccc(C(C)(C)C)cc1C(CO)C(C)C
InChIInChI=1S/C16H26O/c1-11(2)15(10-17)14-9-13(16(4,5)6)8-7-12(14)3/h7-9,11,15,17H,10H2,1-6H3
InChIKeyXPPXNWXKFLCHLR-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.02
Rot. Bonds3

About 2-(5-tert-butyl-2-methylphenyl)-3-methylbutan-1-ol

2-(5-tert-butyl-2-methylphenyl)-3-methylbutan-1-ol (PubChem CID 82083216) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 2-(5-tert-butyl-2-methylphenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(5-tert-butyl-2-methylphenyl)-3-methylbutan-1-ol
PubChem CID82083216
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name2-(5-tert-butyl-2-methylphenyl)-3-methylbutan-1-ol
SMILESCc1ccc(C(C)(C)C)cc1C(CO)C(C)C
InChIInChI=1S/C16H26O/c1-11(2)15(10-17)14-9-13(16(4,5)6)8-7-12(14)3/h7-9,11,15,17H,10H2,1-6H3
InChIKeyXPPXNWXKFLCHLR-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-2-(2-deuteriopropan-2-yl)-1-methylbenzene
CID 157217338
4-(5-tert-butyl-2-methylphenyl)-5-methylhexan-3-one
CID 83935348
4-tert-butyl-2-(4-chlorobutan-2-yl)-1-methylbenzene
CID 82084225
3-(5-tert-butyl-2-methylphenyl)hexan-1-ol
CID 112508716
3-amino-1-(5-tert-butyl-2-methylphenyl)propan-1-ol
CID 82048901
4-(5-tert-butyl-2-methylphenyl)-3-methylpentan-1-amine
CID 83935321
1-(5-tert-butyl-2-methylphenyl)-N,N,2-trimethylpropane-1,3-diamine
CID 116904659
4-(5-tert-butyl-2-methylphenyl)-4-hydroxybutanenitrile
CID 82082214
2-[(1S)-1-amino-2-hydroxyethyl]-4-tert-butylphenol
CID 66514668
2-amino-1-(5-tert-butyl-2-methylphenyl)-3-hydroxypropan-1-one
CID 116920619
3-[amino-(5-tert-butyl-2-methylphenyl)methyl]cyclobutan-1-amine
CID 116937320
1-(5-tert-butyl-2-methylphenyl)-3-chloro-N-methylpropan-1-amine
CID 116952746

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-2-methylphenyl)-3-methylbutan-1-ol?
The IUPAC name of 2-(5-tert-butyl-2-methylphenyl)-3-methylbutan-1-ol (CID 82083216) is 2-(5-tert-butyl-2-methylphenyl)-3-methylbutan-1-ol.
What is the SMILES notation for 2-(5-tert-butyl-2-methylphenyl)-3-methylbutan-1-ol?
The canonical SMILES for 2-(5-tert-butyl-2-methylphenyl)-3-methylbutan-1-ol is Cc1ccc(C(C)(C)C)cc1C(CO)C(C)C.
What is the InChIKey of 2-(5-tert-butyl-2-methylphenyl)-3-methylbutan-1-ol?
The InChIKey is XPPXNWXKFLCHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-11(2)15(10-17)14-9-13(16(4,5)6)8-7-12(14)3/h7-9,11,15,17H,10H2,1-6H3.
What are the key properties of 2-(5-tert-butyl-2-methylphenyl)-3-methylbutan-1-ol?
2-(5-tert-butyl-2-methylphenyl)-3-methylbutan-1-ol has a molecular weight of 234.38 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-2-methylphenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 82083216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).