[4-[4-(hydroxymethyl)-1-methylcyclohexyl]cyclohexyl]methanol

C15H28O2 — CID 129134790

IUPAC[4-[4-(hydroxymethyl)-1-methylcyclohexyl]cyclohexyl]methanol
SMILESCC1(C2CCC(CO)CC2)CCC(CO)CC1
InChIInChI=1S/C15H28O2/c1-15(8-6-13(11-17)7-9-15)14-4-2-12(10-16)3-5-14/h12-14,16-17H,2-11H2,1H3
InChIKeyTXFCQAKRUTYRED-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.97
Rot. Bonds3

About [4-[4-(hydroxymethyl)-1-methylcyclohexyl]cyclohexyl]methanol

[4-[4-(hydroxymethyl)-1-methylcyclohexyl]cyclohexyl]methanol (PubChem CID 129134790) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is [4-[4-(hydroxymethyl)-1-methylcyclohexyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[4-(hydroxymethyl)-1-methylcyclohexyl]cyclohexyl]methanol
PubChem CID129134790
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name[4-[4-(hydroxymethyl)-1-methylcyclohexyl]cyclohexyl]methanol
SMILESCC1(C2CCC(CO)CC2)CCC(CO)CC1
InChIInChI=1S/C15H28O2/c1-15(8-6-13(11-17)7-9-15)14-4-2-12(10-16)3-5-14/h12-14,16-17H,2-11H2,1H3
InChIKeyTXFCQAKRUTYRED-UHFFFAOYSA-N
XLogP2.97
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [4-[4-(hydroxymethyl)-1-methylcyclohexyl]cyclohexyl]methanol 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-[4-(hydroxymethyl)-1-methylcyclohexyl]cyclohexyl]methanol?
The IUPAC name of [4-[4-(hydroxymethyl)-1-methylcyclohexyl]cyclohexyl]methanol (CID 129134790) is [4-[4-(hydroxymethyl)-1-methylcyclohexyl]cyclohexyl]methanol.
What is the SMILES notation for [4-[4-(hydroxymethyl)-1-methylcyclohexyl]cyclohexyl]methanol?
The canonical SMILES for [4-[4-(hydroxymethyl)-1-methylcyclohexyl]cyclohexyl]methanol is CC1(C2CCC(CO)CC2)CCC(CO)CC1.
What is the InChIKey of [4-[4-(hydroxymethyl)-1-methylcyclohexyl]cyclohexyl]methanol?
The InChIKey is TXFCQAKRUTYRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-15(8-6-13(11-17)7-9-15)14-4-2-12(10-16)3-5-14/h12-14,16-17H,2-11H2,1H3.
What are the key properties of [4-[4-(hydroxymethyl)-1-methylcyclohexyl]cyclohexyl]methanol?
[4-[4-(hydroxymethyl)-1-methylcyclohexyl]cyclohexyl]methanol has a molecular weight of 240.39 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(hydroxymethyl)-1-methylcyclohexyl]cyclohexyl]methanol is sourced from PubChem (CID 129134790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).