5-(4-tert-butylphenyl)-4-methylpentan-2-ol

C16H26O — CID 64719679

IUPAC5-(4-tert-butylphenyl)-4-methylpentan-2-ol
SMILESCC(O)CC(C)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26O/c1-12(10-13(2)17)11-14-6-8-15(9-7-14)16(3,4)5/h6-9,12-13,17H,10-11H2,1-5H3
InChIKeyXTGPKXFOTSRIFQ-UHFFFAOYSA-N
MW234.38 g/mol
LogP3.93
Rot. Bonds4

About 5-(4-tert-butylphenyl)-4-methylpentan-2-ol

5-(4-tert-butylphenyl)-4-methylpentan-2-ol (PubChem CID 64719679) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-4-methylpentan-2-ol.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-4-methylpentan-2-ol
PubChem CID64719679
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name5-(4-tert-butylphenyl)-4-methylpentan-2-ol
SMILESCC(O)CC(C)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26O/c1-12(10-13(2)17)11-14-6-8-15(9-7-14)16(3,4)5/h6-9,12-13,17H,10-11H2,1-5H3
InChIKeyXTGPKXFOTSRIFQ-UHFFFAOYSA-N
XLogP3.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-4-(2,4,5,5-tetramethylhexyl)benzene
CID 57303246
5-(4-tert-butylphenyl)-N,4-dimethylpentan-2-amine
CID 64719182
1-tert-butyl-4-(2-methylbutyl)benzene;ethane
CID 156874515
(2R)-3-(4-tert-butylphenyl)-1,1,1-trifluoropropan-2-ol
CID 94905405
3-(4-tert-butylphenyl)-1-methoxy-2-methylpropan-1-ol
CID 142040255
N'-(4-tert-butylphenyl)-N-(4-hydroxy-2-methylpentyl)oxamide
CID 111456250
(2S,3R,4S)-2-amino-1-(4-tert-butylphenyl)-6-methylheptane-3,4-diol
CID 57286742
1-(4-tert-butylphenyl)-3-(4-chlorophenyl)propan-2-ol
CID 63410107
1-(4-tert-butylphenyl)-3-ethoxybutan-2-ol
CID 64541572
4-methyl-5-thiophen-3-ylpentan-2-ol
CID 64719896
2-(4-tert-butylphenyl)-1-cyclopropylethanol
CID 62608769
(2R)-1-[(4-tert-butylphenyl)methylamino]propan-2-ol
CID 39244971

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-4-methylpentan-2-ol?
The IUPAC name of 5-(4-tert-butylphenyl)-4-methylpentan-2-ol (CID 64719679) is 5-(4-tert-butylphenyl)-4-methylpentan-2-ol.
What is the SMILES notation for 5-(4-tert-butylphenyl)-4-methylpentan-2-ol?
The canonical SMILES for 5-(4-tert-butylphenyl)-4-methylpentan-2-ol is CC(O)CC(C)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)-4-methylpentan-2-ol?
The InChIKey is XTGPKXFOTSRIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-12(10-13(2)17)11-14-6-8-15(9-7-14)16(3,4)5/h6-9,12-13,17H,10-11H2,1-5H3.
What are the key properties of 5-(4-tert-butylphenyl)-4-methylpentan-2-ol?
5-(4-tert-butylphenyl)-4-methylpentan-2-ol has a molecular weight of 234.38 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-4-methylpentan-2-ol is sourced from PubChem (CID 64719679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).