1-(4-tert-butylphenyl)-3,5-dimethylcyclohexan-1-ol

C18H28O — CID 64735152

IUPAC1-(4-tert-butylphenyl)-3,5-dimethylcyclohexan-1-ol
SMILESCC1CC(C)CC(O)(c2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C18H28O/c1-13-10-14(2)12-18(19,11-13)16-8-6-15(7-9-16)17(3,4)5/h6-9,13-14,19H,10-12H2,1-5H3
InChIKeyZADSJMYEVOINRI-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.63
Rot. Bonds1

About 1-(4-tert-butylphenyl)-3,5-dimethylcyclohexan-1-ol

1-(4-tert-butylphenyl)-3,5-dimethylcyclohexan-1-ol (PubChem CID 64735152) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3,5-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3,5-dimethylcyclohexan-1-ol
PubChem CID64735152
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name1-(4-tert-butylphenyl)-3,5-dimethylcyclohexan-1-ol
SMILESCC1CC(C)CC(O)(c2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C18H28O/c1-13-10-14(2)12-18(19,11-13)16-8-6-15(7-9-16)17(3,4)5/h6-9,13-14,19H,10-12H2,1-5H3
InChIKeyZADSJMYEVOINRI-UHFFFAOYSA-N
XLogP4.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3,5-dimethylcyclohexan-1-ol?
The IUPAC name of 1-(4-tert-butylphenyl)-3,5-dimethylcyclohexan-1-ol (CID 64735152) is 1-(4-tert-butylphenyl)-3,5-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3,5-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-(4-tert-butylphenyl)-3,5-dimethylcyclohexan-1-ol is CC1CC(C)CC(O)(c2ccc(C(C)(C)C)cc2)C1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3,5-dimethylcyclohexan-1-ol?
The InChIKey is ZADSJMYEVOINRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O/c1-13-10-14(2)12-18(19,11-13)16-8-6-15(7-9-16)17(3,4)5/h6-9,13-14,19H,10-12H2,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)-3,5-dimethylcyclohexan-1-ol?
1-(4-tert-butylphenyl)-3,5-dimethylcyclohexan-1-ol has a molecular weight of 260.42 g/mol, XLogP of 4.63, 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)-3,5-dimethylcyclohexan-1-ol is sourced from PubChem (CID 64735152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).