1-(4-tert-butylphenyl)-2,4,4-trimethylcyclohexan-1-ol

C19H30O — CID 81313765

IUPAC1-(4-tert-butylphenyl)-2,4,4-trimethylcyclohexan-1-ol
SMILESCC1CC(C)(C)CCC1(O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H30O/c1-14-13-18(5,6)11-12-19(14,20)16-9-7-15(8-10-16)17(2,3)4/h7-10,14,20H,11-13H2,1-6H3
InChIKeyFSWOZLNSYJQFOC-UHFFFAOYSA-N
MW274.45 g/mol
LogP5.02
Rot. Bonds1

About 1-(4-tert-butylphenyl)-2,4,4-trimethylcyclohexan-1-ol

1-(4-tert-butylphenyl)-2,4,4-trimethylcyclohexan-1-ol (PubChem CID 81313765) has the molecular formula C19H30O and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2,4,4-trimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2,4,4-trimethylcyclohexan-1-ol
PubChem CID81313765
Molecular FormulaC19H30O
Molecular Weight274.45 g/mol
Exact Mass274.23
IUPAC Name1-(4-tert-butylphenyl)-2,4,4-trimethylcyclohexan-1-ol
SMILESCC1CC(C)(C)CCC1(O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H30O/c1-14-13-18(5,6)11-12-19(14,20)16-9-7-15(8-10-16)17(2,3)4/h7-10,14,20H,11-13H2,1-6H3
InChIKeyFSWOZLNSYJQFOC-UHFFFAOYSA-N
XLogP5.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.45
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 14529
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CID 93344
Benzenemethanol, (1-((1,1-dimethylethyl)dioxy)-1-methylethyl)-alpha,alpha-dimethyl-
CID 18935
4,4',4''-Trimethyltrityl alcohol
CID 76733
p-Bis(2-hydroxyisopropyl)benzene
CID 18062
alpha,alpha-Dimethyl[1,1'-biphenyl]-4-methanol
CID 118654
Cyclohexyl-diphenyl-methanol
CID 275162
1,2-Diphenyl-2-propanol
CID 95356
2-Phenyl-pentan-2-ol
CID 138214
3-Phenylpentan-3-ol
CID 238511

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2,4,4-trimethylcyclohexan-1-ol?
The IUPAC name of 1-(4-tert-butylphenyl)-2,4,4-trimethylcyclohexan-1-ol (CID 81313765) is 1-(4-tert-butylphenyl)-2,4,4-trimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2,4,4-trimethylcyclohexan-1-ol?
The canonical SMILES for 1-(4-tert-butylphenyl)-2,4,4-trimethylcyclohexan-1-ol is CC1CC(C)(C)CCC1(O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2,4,4-trimethylcyclohexan-1-ol?
The InChIKey is FSWOZLNSYJQFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O/c1-14-13-18(5,6)11-12-19(14,20)16-9-7-15(8-10-16)17(2,3)4/h7-10,14,20H,11-13H2,1-6H3.
What are the key properties of 1-(4-tert-butylphenyl)-2,4,4-trimethylcyclohexan-1-ol?
1-(4-tert-butylphenyl)-2,4,4-trimethylcyclohexan-1-ol has a molecular weight of 274.45 g/mol, XLogP of 5.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2,4,4-trimethylcyclohexan-1-ol is sourced from PubChem (CID 81313765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).