1-(4-cyclobutylphenyl)-3-propan-2-ylcyclohexan-1-ol

C19H28O — CID 107449706

IUPAC1-(4-cyclobutylphenyl)-3-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCCC(O)(c2ccc(C3CCC3)cc2)C1
InChIInChI=1S/C19H28O/c1-14(2)17-7-4-12-19(20,13-17)18-10-8-16(9-11-18)15-5-3-6-15/h8-11,14-15,17,20H,3-7,12-13H2,1-2H3
InChIKeyYNSHQIYGUKLCAK-UHFFFAOYSA-N
MW272.43 g/mol
LogP4.99
Rot. Bonds3

About 1-(4-cyclobutylphenyl)-3-propan-2-ylcyclohexan-1-ol

1-(4-cyclobutylphenyl)-3-propan-2-ylcyclohexan-1-ol (PubChem CID 107449706) has the molecular formula C19H28O and a molecular weight of 272.43 g/mol. Its IUPAC name is 1-(4-cyclobutylphenyl)-3-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(4-cyclobutylphenyl)-3-propan-2-ylcyclohexan-1-ol
PubChem CID107449706
Molecular FormulaC19H28O
Molecular Weight272.43 g/mol
Exact Mass272.21
IUPAC Name1-(4-cyclobutylphenyl)-3-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCCC(O)(c2ccc(C3CCC3)cc2)C1
InChIInChI=1S/C19H28O/c1-14(2)17-7-4-12-19(20,13-17)18-10-8-16(9-11-18)15-5-3-6-15/h8-11,14-15,17,20H,3-7,12-13H2,1-2H3
InChIKeyYNSHQIYGUKLCAK-UHFFFAOYSA-N
XLogP4.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-cyclobutylphenyl)-4-propan-2-ylcycloheptan-1-ol
CID 116505382
1-(4-ethylphenyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449675
1-(3-methylphenyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449876
3-propan-2-yl-1-(2,3,4-trifluorophenyl)cyclohexan-1-ol
CID 107449831
4-(4-cyclobutylphenyl)-1,2-dimethylpiperidin-4-ol
CID 116505443
1-(2,3-dihydro-1-benzofuran-5-yl)-3-propan-2-ylcyclohexan-1-ol
CID 107449797
3-amino-1-(4-cyclobutylphenyl)cyclobutan-1-ol
CID 116505430
3-propan-2-yl-1-quinolin-7-ylcyclohexan-1-ol
CID 107450011
1-(4-ethylphenyl)-4-propan-2-ylcycloheptan-1-ol
CID 65090466
4-(4-cyclobutylphenyl)-4-hydroxycyclohexan-1-one
CID 116505390
1-(3-bromothiophen-2-yl)-3-propan-2-ylcyclohexan-1-ol
CID 107449913
4-(3-propan-2-ylcyclohexyl)phenol
CID 139438359

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylphenyl)-3-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 1-(4-cyclobutylphenyl)-3-propan-2-ylcyclohexan-1-ol (CID 107449706) is 1-(4-cyclobutylphenyl)-3-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-(4-cyclobutylphenyl)-3-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-(4-cyclobutylphenyl)-3-propan-2-ylcyclohexan-1-ol is CC(C)C1CCCC(O)(c2ccc(C3CCC3)cc2)C1.
What is the InChIKey of 1-(4-cyclobutylphenyl)-3-propan-2-ylcyclohexan-1-ol?
The InChIKey is YNSHQIYGUKLCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O/c1-14(2)17-7-4-12-19(20,13-17)18-10-8-16(9-11-18)15-5-3-6-15/h8-11,14-15,17,20H,3-7,12-13H2,1-2H3.
What are the key properties of 1-(4-cyclobutylphenyl)-3-propan-2-ylcyclohexan-1-ol?
1-(4-cyclobutylphenyl)-3-propan-2-ylcyclohexan-1-ol has a molecular weight of 272.43 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylphenyl)-3-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 107449706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).