1-(2-methylbutyl)-2-phenylcyclohexan-1-ol

C17H26O — CID 65147898

IUPAC1-(2-methylbutyl)-2-phenylcyclohexan-1-ol
SMILESCCC(C)CC1(O)CCCCC1c1ccccc1
InChIInChI=1S/C17H26O/c1-3-14(2)13-17(18)12-8-7-11-16(17)15-9-5-4-6-10-15/h4-6,9-10,14,16,18H,3,7-8,11-13H2,1-2H3
InChIKeyCNBAJRUZILXHJF-UHFFFAOYSA-N
MW246.39 g/mol
LogP4.51
Rot. Bonds4

About 1-(2-methylbutyl)-2-phenylcyclohexan-1-ol

1-(2-methylbutyl)-2-phenylcyclohexan-1-ol (PubChem CID 65147898) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 1-(2-methylbutyl)-2-phenylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-methylbutyl)-2-phenylcyclohexan-1-ol
PubChem CID65147898
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name1-(2-methylbutyl)-2-phenylcyclohexan-1-ol
SMILESCCC(C)CC1(O)CCCCC1c1ccccc1
InChIInChI=1S/C17H26O/c1-3-14(2)13-17(18)12-8-7-11-16(17)15-9-5-4-6-10-15/h4-6,9-10,14,16,18H,3,7-8,11-13H2,1-2H3
InChIKeyCNBAJRUZILXHJF-UHFFFAOYSA-N
XLogP4.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutyl)-2-phenylcyclohexan-1-ol?
The IUPAC name of 1-(2-methylbutyl)-2-phenylcyclohexan-1-ol (CID 65147898) is 1-(2-methylbutyl)-2-phenylcyclohexan-1-ol.
What is the SMILES notation for 1-(2-methylbutyl)-2-phenylcyclohexan-1-ol?
The canonical SMILES for 1-(2-methylbutyl)-2-phenylcyclohexan-1-ol is CCC(C)CC1(O)CCCCC1c1ccccc1.
What is the InChIKey of 1-(2-methylbutyl)-2-phenylcyclohexan-1-ol?
The InChIKey is CNBAJRUZILXHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-3-14(2)13-17(18)12-8-7-11-16(17)15-9-5-4-6-10-15/h4-6,9-10,14,16,18H,3,7-8,11-13H2,1-2H3.
What are the key properties of 1-(2-methylbutyl)-2-phenylcyclohexan-1-ol?
1-(2-methylbutyl)-2-phenylcyclohexan-1-ol has a molecular weight of 246.39 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutyl)-2-phenylcyclohexan-1-ol is sourced from PubChem (CID 65147898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).