1-(3-cyclobutylphenyl)-3,5-dimethylcyclohexan-1-ol

C18H26O — CID 114601365

IUPAC1-(3-cyclobutylphenyl)-3,5-dimethylcyclohexan-1-ol
SMILESCC1CC(C)CC(O)(c2cccc(C3CCC3)c2)C1
InChIInChI=1S/C18H26O/c1-13-9-14(2)12-18(19,11-13)17-8-4-7-16(10-17)15-5-3-6-15/h4,7-8,10,13-15,19H,3,5-6,9,11-12H2,1-2H3
InChIKeyLRWRWVZCKCOCLT-UHFFFAOYSA-N
MW258.40 g/mol
LogP4.60
Rot. Bonds2

About 1-(3-cyclobutylphenyl)-3,5-dimethylcyclohexan-1-ol

1-(3-cyclobutylphenyl)-3,5-dimethylcyclohexan-1-ol (PubChem CID 114601365) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is 1-(3-cyclobutylphenyl)-3,5-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(3-cyclobutylphenyl)-3,5-dimethylcyclohexan-1-ol
PubChem CID114601365
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name1-(3-cyclobutylphenyl)-3,5-dimethylcyclohexan-1-ol
SMILESCC1CC(C)CC(O)(c2cccc(C3CCC3)c2)C1
InChIInChI=1S/C18H26O/c1-13-9-14(2)12-18(19,11-13)17-8-4-7-16(10-17)15-5-3-6-15/h4,7-8,10,13-15,19H,3,5-6,9,11-12H2,1-2H3
InChIKeyLRWRWVZCKCOCLT-UHFFFAOYSA-N
XLogP4.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutylphenyl)-3,5-dimethylcyclohexan-1-ol?
The IUPAC name of 1-(3-cyclobutylphenyl)-3,5-dimethylcyclohexan-1-ol (CID 114601365) is 1-(3-cyclobutylphenyl)-3,5-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(3-cyclobutylphenyl)-3,5-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-(3-cyclobutylphenyl)-3,5-dimethylcyclohexan-1-ol is CC1CC(C)CC(O)(c2cccc(C3CCC3)c2)C1.
What is the InChIKey of 1-(3-cyclobutylphenyl)-3,5-dimethylcyclohexan-1-ol?
The InChIKey is LRWRWVZCKCOCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c1-13-9-14(2)12-18(19,11-13)17-8-4-7-16(10-17)15-5-3-6-15/h4,7-8,10,13-15,19H,3,5-6,9,11-12H2,1-2H3.
What are the key properties of 1-(3-cyclobutylphenyl)-3,5-dimethylcyclohexan-1-ol?
1-(3-cyclobutylphenyl)-3,5-dimethylcyclohexan-1-ol has a molecular weight of 258.40 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutylphenyl)-3,5-dimethylcyclohexan-1-ol is sourced from PubChem (CID 114601365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).