1-(4-tert-butylcyclohexyl)-4-phenylbutan-1-ol

C20H32O — CID 65401121

IUPAC1-(4-tert-butylcyclohexyl)-4-phenylbutan-1-ol
SMILESCC(C)(C)C1CCC(C(O)CCCc2ccccc2)CC1
InChIInChI=1S/C20H32O/c1-20(2,3)18-14-12-17(13-15-18)19(21)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,17-19,21H,7,10-15H2,1-3H3
InChIKeyBVYRGHCTZZWAKQ-UHFFFAOYSA-N
MW288.47 g/mol
LogP5.22
Rot. Bonds5

About 1-(4-tert-butylcyclohexyl)-4-phenylbutan-1-ol

1-(4-tert-butylcyclohexyl)-4-phenylbutan-1-ol (PubChem CID 65401121) has the molecular formula C20H32O and a molecular weight of 288.47 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-4-phenylbutan-1-ol.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-4-phenylbutan-1-ol
PubChem CID65401121
Molecular FormulaC20H32O
Molecular Weight288.47 g/mol
Exact Mass288.25
IUPAC Name1-(4-tert-butylcyclohexyl)-4-phenylbutan-1-ol
SMILESCC(C)(C)C1CCC(C(O)CCCc2ccccc2)CC1
InChIInChI=1S/C20H32O/c1-20(2,3)18-14-12-17(13-15-18)19(21)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,17-19,21H,7,10-15H2,1-3H3
InChIKeyBVYRGHCTZZWAKQ-UHFFFAOYSA-N
XLogP5.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.47
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-tert-butylcyclohexyl)heptan-1-ol
CID 65400919
(1R)-1-cyclopentyl-3-phenylpropan-1-ol
CID 15361902
2-(benzylamino)-2-(4-tert-butylcyclohexyl)ethanol
CID 104575780
1-[4-(oxan-2-yloxy)cyclohexyl]-4-phenylbutan-1-ol
CID 59992415
(1R,5R)-1-cyclohexyl-7-phenylheptane-1,5-diol
CID 46914940
1-cyclopropyl-4-(3,4-dimethylphenyl)butan-1-ol
CID 64515372
[4-tert-butyl-1-(3-phenylpropyl)cyclohexyl]methanol
CID 66024369
4-tert-butyl-1-(3-phenylpropyl)cycloheptan-1-ol
CID 65151218
4-phenyl-1-(2-piperidin-4-ylpropan-2-yloxy)butan-1-ol
CID 155075765
2-cyclopropyl-2-methyl-5-phenylpentan-1-ol
CID 83150041
1-(4-tert-butylcyclohexyl)-2-(2-chlorophenyl)sulfanylethanol
CID 66153723
1-cyclopropyl-2-[methyl(2-phenylethyl)amino]ethanol
CID 65486700

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)-4-phenylbutan-1-ol?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-4-phenylbutan-1-ol (CID 65401121) is 1-(4-tert-butylcyclohexyl)-4-phenylbutan-1-ol.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-4-phenylbutan-1-ol?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-4-phenylbutan-1-ol is CC(C)(C)C1CCC(C(O)CCCc2ccccc2)CC1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-4-phenylbutan-1-ol?
The InChIKey is BVYRGHCTZZWAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O/c1-20(2,3)18-14-12-17(13-15-18)19(21)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,17-19,21H,7,10-15H2,1-3H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)-4-phenylbutan-1-ol?
1-(4-tert-butylcyclohexyl)-4-phenylbutan-1-ol has a molecular weight of 288.47 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-4-phenylbutan-1-ol is sourced from PubChem (CID 65401121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).