[4-tert-butyl-1-(3-phenylpropyl)cyclohexyl]methanol

C20H32O — CID 66024369

IUPAC[4-tert-butyl-1-(3-phenylpropyl)cyclohexyl]methanol
SMILESCC(C)(C)C1CCC(CO)(CCCc2ccccc2)CC1
InChIInChI=1S/C20H32O/c1-19(2,3)18-11-14-20(16-21,15-12-18)13-7-10-17-8-5-4-6-9-17/h4-6,8-9,18,21H,7,10-16H2,1-3H3
InChIKeyKISZAXVACYCORA-UHFFFAOYSA-N
MW288.47 g/mol
LogP5.22
Rot. Bonds5

About [4-tert-butyl-1-(3-phenylpropyl)cyclohexyl]methanol

[4-tert-butyl-1-(3-phenylpropyl)cyclohexyl]methanol (PubChem CID 66024369) has the molecular formula C20H32O and a molecular weight of 288.47 g/mol. Its IUPAC name is [4-tert-butyl-1-(3-phenylpropyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-tert-butyl-1-(3-phenylpropyl)cyclohexyl]methanol
PubChem CID66024369
Molecular FormulaC20H32O
Molecular Weight288.47 g/mol
Exact Mass288.25
IUPAC Name[4-tert-butyl-1-(3-phenylpropyl)cyclohexyl]methanol
SMILESCC(C)(C)C1CCC(CO)(CCCc2ccccc2)CC1
InChIInChI=1S/C20H32O/c1-19(2,3)18-11-14-20(16-21,15-12-18)13-7-10-17-8-5-4-6-9-17/h4-6,8-9,18,21H,7,10-16H2,1-3H3
InChIKeyKISZAXVACYCORA-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

4-tert-butyl-1-(3-phenylpropyl)cycloheptan-1-ol
CID 65151218
4-tert-butyl-1-(3-phenylpropyl)cycloheptan-1-amine
CID 65090155
(4-tert-butyl-1-octylcyclohexyl)methanol
CID 66026572
[4-tert-butyl-1-[3-(2-methoxyethoxy)propyl]cyclohexyl]methanol
CID 103415215
1-(4-tert-butylcyclohexyl)-4-phenylbutan-1-ol
CID 65401121
[1-(2-phenylethyl)cyclobutyl]methanol
CID 58979662
[2-methyl-1-(3-phenylpropyl)cyclopropyl]methanol
CID 20672612
2-cyclopropyl-2-methyl-5-phenylpentan-1-ol
CID 83150041
[4-tert-butyl-1-[2-(3-methoxypropoxy)ethyl]cyclohexyl]methanol
CID 103184925
4,4-dimethyl-1-(3-phenylpropyl)cyclohexan-1-ol
CID 10490686
[1-[(4-methoxyphenyl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol
CID 42558104
1-(bromomethyl)-4-tert-butyl-1-hexylcyclohexane
CID 66048481

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-1-(3-phenylpropyl)cyclohexyl]methanol?
The IUPAC name of [4-tert-butyl-1-(3-phenylpropyl)cyclohexyl]methanol (CID 66024369) is [4-tert-butyl-1-(3-phenylpropyl)cyclohexyl]methanol.
What is the SMILES notation for [4-tert-butyl-1-(3-phenylpropyl)cyclohexyl]methanol?
The canonical SMILES for [4-tert-butyl-1-(3-phenylpropyl)cyclohexyl]methanol is CC(C)(C)C1CCC(CO)(CCCc2ccccc2)CC1.
What is the InChIKey of [4-tert-butyl-1-(3-phenylpropyl)cyclohexyl]methanol?
The InChIKey is KISZAXVACYCORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O/c1-19(2,3)18-11-14-20(16-21,15-12-18)13-7-10-17-8-5-4-6-9-17/h4-6,8-9,18,21H,7,10-16H2,1-3H3.
What are the key properties of [4-tert-butyl-1-(3-phenylpropyl)cyclohexyl]methanol?
[4-tert-butyl-1-(3-phenylpropyl)cyclohexyl]methanol 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 [4-tert-butyl-1-(3-phenylpropyl)cyclohexyl]methanol is sourced from PubChem (CID 66024369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).