4-(2-hydroxyethyl)-1-methylcyclohexan-1-ol

C9H18O2 — CID 130125022

IUPAC4-(2-hydroxyethyl)-1-methylcyclohexan-1-ol
SMILESCC1(O)CCC(CCO)CC1
InChIInChI=1S/C9H18O2/c1-9(11)5-2-8(3-6-9)4-7-10/h8,10-11H,2-7H2,1H3
InChIKeyGRLYZCBIETWTTD-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.31
Rot. Bonds2

About 4-(2-hydroxyethyl)-1-methylcyclohexan-1-ol

4-(2-hydroxyethyl)-1-methylcyclohexan-1-ol (PubChem CID 130125022) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-1-methylcyclohexan-1-ol.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-1-methylcyclohexan-1-ol
PubChem CID130125022
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name4-(2-hydroxyethyl)-1-methylcyclohexan-1-ol
SMILESCC1(O)CCC(CCO)CC1
InChIInChI=1S/C9H18O2/c1-9(11)5-2-8(3-6-9)4-7-10/h8,10-11H,2-7H2,1H3
InChIKeyGRLYZCBIETWTTD-UHFFFAOYSA-N
XLogP1.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(2-hydroxyethyl)-1-methylcyclohexan-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 4-(2-hydroxyethyl)-1-methylcyclohexan-1-ol?
The IUPAC name of 4-(2-hydroxyethyl)-1-methylcyclohexan-1-ol (CID 130125022) is 4-(2-hydroxyethyl)-1-methylcyclohexan-1-ol.
What is the SMILES notation for 4-(2-hydroxyethyl)-1-methylcyclohexan-1-ol?
The canonical SMILES for 4-(2-hydroxyethyl)-1-methylcyclohexan-1-ol is CC1(O)CCC(CCO)CC1.
What is the InChIKey of 4-(2-hydroxyethyl)-1-methylcyclohexan-1-ol?
The InChIKey is GRLYZCBIETWTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-9(11)5-2-8(3-6-9)4-7-10/h8,10-11H,2-7H2,1H3.
What are the key properties of 4-(2-hydroxyethyl)-1-methylcyclohexan-1-ol?
4-(2-hydroxyethyl)-1-methylcyclohexan-1-ol has a molecular weight of 158.24 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-1-methylcyclohexan-1-ol is sourced from PubChem (CID 130125022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).