2-(4-tert-butylphenyl)-1-(2,2-dimethylcyclohexyl)ethanol

C20H32O — CID 107192147

IUPAC2-(4-tert-butylphenyl)-1-(2,2-dimethylcyclohexyl)ethanol
SMILESCC(C)(C)c1ccc(CC(O)C2CCCCC2(C)C)cc1
InChIInChI=1S/C20H32O/c1-19(2,3)16-11-9-15(10-12-16)14-18(21)17-8-6-7-13-20(17,4)5/h9-12,17-18,21H,6-8,13-14H2,1-5H3
InChIKeyZEKQFOXTTHJFST-UHFFFAOYSA-N
MW288.48 g/mol
LogP5.10
Rot. Bonds3

About 2-(4-tert-butylphenyl)-1-(2,2-dimethylcyclohexyl)ethanol

2-(4-tert-butylphenyl)-1-(2,2-dimethylcyclohexyl)ethanol (PubChem CID 107192147) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-1-(2,2-dimethylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-1-(2,2-dimethylcyclohexyl)ethanol
PubChem CID107192147
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name2-(4-tert-butylphenyl)-1-(2,2-dimethylcyclohexyl)ethanol
SMILESCC(C)(C)c1ccc(CC(O)C2CCCCC2(C)C)cc1
InChIInChI=1S/C20H32O/c1-19(2,3)16-11-9-15(10-12-16)14-18(21)17-8-6-7-13-20(17,4)5/h9-12,17-18,21H,6-8,13-14H2,1-5H3
InChIKeyZEKQFOXTTHJFST-UHFFFAOYSA-N
XLogP5.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-tert-butylphenyl)-1-cyclopropylethanol
CID 62608769
1-(2,2-dimethylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 107192689
2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclohexyl)ethanol
CID 107192076
1-(2,2-dimethylcyclopentyl)-2-(furan-3-yl)ethanol
CID 107192815
1-(2,2-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)ethanol
CID 107192144
(4-tert-butylphenyl)-(2,2-dimethylcyclopentyl)methanamine
CID 107177014
1-[chloro-(2,2-dimethylcyclohexyl)methyl]-4-(2-methylpropyl)benzene
CID 107181911
1-(2,2-dimethylcyclohexyl)-2-(1-methylindazol-3-yl)ethanol
CID 107192548
2-(4-chlorophenyl)-1-(2,2-dimethylcyclopropyl)ethanol
CID 107003081
1-(2,2-dimethylcyclohexyl)-3-ethylpentan-1-ol
CID 107192806
1-(2,2-dimethylcyclohexyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 107179500
1-cyclopentyl-2-[4-(trifluoromethyl)phenyl]ethanol
CID 62607269

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-1-(2,2-dimethylcyclohexyl)ethanol?
The IUPAC name of 2-(4-tert-butylphenyl)-1-(2,2-dimethylcyclohexyl)ethanol (CID 107192147) is 2-(4-tert-butylphenyl)-1-(2,2-dimethylcyclohexyl)ethanol.
What is the SMILES notation for 2-(4-tert-butylphenyl)-1-(2,2-dimethylcyclohexyl)ethanol?
The canonical SMILES for 2-(4-tert-butylphenyl)-1-(2,2-dimethylcyclohexyl)ethanol is CC(C)(C)c1ccc(CC(O)C2CCCCC2(C)C)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-1-(2,2-dimethylcyclohexyl)ethanol?
The InChIKey is ZEKQFOXTTHJFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O/c1-19(2,3)16-11-9-15(10-12-16)14-18(21)17-8-6-7-13-20(17,4)5/h9-12,17-18,21H,6-8,13-14H2,1-5H3.
What are the key properties of 2-(4-tert-butylphenyl)-1-(2,2-dimethylcyclohexyl)ethanol?
2-(4-tert-butylphenyl)-1-(2,2-dimethylcyclohexyl)ethanol has a molecular weight of 288.48 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-1-(2,2-dimethylcyclohexyl)ethanol is sourced from PubChem (CID 107192147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).