1-(4-cyclobutylphenyl)-2,2-dimethylcyclohexan-1-ol

C18H26O — CID 116505410

IUPAC1-(4-cyclobutylphenyl)-2,2-dimethylcyclohexan-1-ol
SMILESCC1(C)CCCCC1(O)c1ccc(C2CCC2)cc1
InChIInChI=1S/C18H26O/c1-17(2)12-3-4-13-18(17,19)16-10-8-15(9-11-16)14-6-5-7-14/h8-11,14,19H,3-7,12-13H2,1-2H3
InChIKeyMBXQATMHFKTAFM-UHFFFAOYSA-N
MW258.40 g/mol
LogP4.74
Rot. Bonds2

About 1-(4-cyclobutylphenyl)-2,2-dimethylcyclohexan-1-ol

1-(4-cyclobutylphenyl)-2,2-dimethylcyclohexan-1-ol (PubChem CID 116505410) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is 1-(4-cyclobutylphenyl)-2,2-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(4-cyclobutylphenyl)-2,2-dimethylcyclohexan-1-ol
PubChem CID116505410
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name1-(4-cyclobutylphenyl)-2,2-dimethylcyclohexan-1-ol
SMILESCC1(C)CCCCC1(O)c1ccc(C2CCC2)cc1
InChIInChI=1S/C18H26O/c1-17(2)12-3-4-13-18(17,19)16-10-8-15(9-11-16)14-6-5-7-14/h8-11,14,19H,3-7,12-13H2,1-2H3
InChIKeyMBXQATMHFKTAFM-UHFFFAOYSA-N
XLogP4.74
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 ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-cyclobutylphenyl)-1,2-dimethylpiperidin-4-ol
CID 116505443
1-[4-(1-methylazepan-4-yl)phenyl]cyclopropan-1-ol
CID 117365932
2,2-dimethyl-1-(4-propoxyphenyl)cyclohexan-1-ol
CID 79853464
4-(4-cyclobutylphenyl)-4-hydroxycyclohexan-1-one
CID 116505390
3-(4-cyclobutylphenyl)-2-methylthian-3-ol
CID 116505414
1-(4-cyclobutylphenyl)-4-propan-2-ylcycloheptan-1-ol
CID 116505382
3-amino-1-(4-cyclobutylphenyl)cyclobutan-1-ol
CID 116505430
1-(4-cyclobutylphenyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449706
1-(4-cyclopentylphenyl)cyclohexan-1-amine
CID 117360957
1-(4-cycloheptylphenyl)cyclopentane-1-carboxylic acid
CID 117462129
[1-(4-cyclobutylphenyl)cyclopropyl]methanamine
CID 117290330
3-(4-cyclopropylphenyl)-3-methylpiperidine
CID 117050274

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylphenyl)-2,2-dimethylcyclohexan-1-ol?
The IUPAC name of 1-(4-cyclobutylphenyl)-2,2-dimethylcyclohexan-1-ol (CID 116505410) is 1-(4-cyclobutylphenyl)-2,2-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(4-cyclobutylphenyl)-2,2-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-(4-cyclobutylphenyl)-2,2-dimethylcyclohexan-1-ol is CC1(C)CCCCC1(O)c1ccc(C2CCC2)cc1.
What is the InChIKey of 1-(4-cyclobutylphenyl)-2,2-dimethylcyclohexan-1-ol?
The InChIKey is MBXQATMHFKTAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c1-17(2)12-3-4-13-18(17,19)16-10-8-15(9-11-16)14-6-5-7-14/h8-11,14,19H,3-7,12-13H2,1-2H3.
What are the key properties of 1-(4-cyclobutylphenyl)-2,2-dimethylcyclohexan-1-ol?
1-(4-cyclobutylphenyl)-2,2-dimethylcyclohexan-1-ol has a molecular weight of 258.40 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylphenyl)-2,2-dimethylcyclohexan-1-ol is sourced from PubChem (CID 116505410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).