1-[4-(2-ethyl-2-hydroxybutyl)phenyl]cyclohexan-1-ol

C18H28O2 — CID 101241896

IUPAC1-[4-(2-ethyl-2-hydroxybutyl)phenyl]cyclohexan-1-ol
SMILESCCC(O)(CC)Cc1ccc(C2(O)CCCCC2)cc1
InChIInChI=1S/C18H28O2/c1-3-17(19,4-2)14-15-8-10-16(11-9-15)18(20)12-6-5-7-13-18/h8-11,19-20H,3-7,12-14H2,1-2H3
InChIKeyWUGOLJASVOKRNK-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.93
Rot. Bonds5

About 1-[4-(2-ethyl-2-hydroxybutyl)phenyl]cyclohexan-1-ol

1-[4-(2-ethyl-2-hydroxybutyl)phenyl]cyclohexan-1-ol (PubChem CID 101241896) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[4-(2-ethyl-2-hydroxybutyl)phenyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[4-(2-ethyl-2-hydroxybutyl)phenyl]cyclohexan-1-ol
PubChem CID101241896
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name1-[4-(2-ethyl-2-hydroxybutyl)phenyl]cyclohexan-1-ol
SMILESCCC(O)(CC)Cc1ccc(C2(O)CCCCC2)cc1
InChIInChI=1S/C18H28O2/c1-3-17(19,4-2)14-15-8-10-16(11-9-15)18(20)12-6-5-7-13-18/h8-11,19-20H,3-7,12-14H2,1-2H3
InChIKeyWUGOLJASVOKRNK-UHFFFAOYSA-N
XLogP3.93
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[4-(2-ethyl-2-hydroxybutyl)phenyl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethyl-2-hydroxybutyl)phenyl]cyclohexan-1-ol?
The IUPAC name of 1-[4-(2-ethyl-2-hydroxybutyl)phenyl]cyclohexan-1-ol (CID 101241896) is 1-[4-(2-ethyl-2-hydroxybutyl)phenyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[4-(2-ethyl-2-hydroxybutyl)phenyl]cyclohexan-1-ol?
The canonical SMILES for 1-[4-(2-ethyl-2-hydroxybutyl)phenyl]cyclohexan-1-ol is CCC(O)(CC)Cc1ccc(C2(O)CCCCC2)cc1.
What is the InChIKey of 1-[4-(2-ethyl-2-hydroxybutyl)phenyl]cyclohexan-1-ol?
The InChIKey is WUGOLJASVOKRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-3-17(19,4-2)14-15-8-10-16(11-9-15)18(20)12-6-5-7-13-18/h8-11,19-20H,3-7,12-14H2,1-2H3.
What are the key properties of 1-[4-(2-ethyl-2-hydroxybutyl)phenyl]cyclohexan-1-ol?
1-[4-(2-ethyl-2-hydroxybutyl)phenyl]cyclohexan-1-ol has a molecular weight of 276.42 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethyl-2-hydroxybutyl)phenyl]cyclohexan-1-ol is sourced from PubChem (CID 101241896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).