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

C16H30O2 — CID 154096960

IUPAC[4-[1-[4-(hydroxymethyl)cyclohexyl]ethyl]cyclohexyl]methanol
SMILESCC(C1CCC(CO)CC1)C1CCC(CO)CC1
InChIInChI=1S/C16H30O2/c1-12(15-6-2-13(10-17)3-7-15)16-8-4-14(11-18)5-9-16/h12-18H,2-11H2,1H3
InChIKeyAREHECJFCLOYCB-UHFFFAOYSA-N
MW254.41 g/mol
LogP3.22
Rot. Bonds4

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

[4-[1-[4-(hydroxymethyl)cyclohexyl]ethyl]cyclohexyl]methanol (PubChem CID 154096960) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is [4-[1-[4-(hydroxymethyl)cyclohexyl]ethyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[1-[4-(hydroxymethyl)cyclohexyl]ethyl]cyclohexyl]methanol
PubChem CID154096960
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name[4-[1-[4-(hydroxymethyl)cyclohexyl]ethyl]cyclohexyl]methanol
SMILESCC(C1CCC(CO)CC1)C1CCC(CO)CC1
InChIInChI=1S/C16H30O2/c1-12(15-6-2-13(10-17)3-7-15)16-8-4-14(11-18)5-9-16/h12-18H,2-11H2,1H3
InChIKeyAREHECJFCLOYCB-UHFFFAOYSA-N
XLogP3.22
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [4-[1-[4-(hydroxymethyl)cyclohexyl]ethyl]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-[1-[4-(hydroxymethyl)cyclohexyl]ethyl]cyclohexyl]methanol?
The IUPAC name of [4-[1-[4-(hydroxymethyl)cyclohexyl]ethyl]cyclohexyl]methanol (CID 154096960) is [4-[1-[4-(hydroxymethyl)cyclohexyl]ethyl]cyclohexyl]methanol.
What is the SMILES notation for [4-[1-[4-(hydroxymethyl)cyclohexyl]ethyl]cyclohexyl]methanol?
The canonical SMILES for [4-[1-[4-(hydroxymethyl)cyclohexyl]ethyl]cyclohexyl]methanol is CC(C1CCC(CO)CC1)C1CCC(CO)CC1.
What is the InChIKey of [4-[1-[4-(hydroxymethyl)cyclohexyl]ethyl]cyclohexyl]methanol?
The InChIKey is AREHECJFCLOYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-12(15-6-2-13(10-17)3-7-15)16-8-4-14(11-18)5-9-16/h12-18H,2-11H2,1H3.
What are the key properties of [4-[1-[4-(hydroxymethyl)cyclohexyl]ethyl]cyclohexyl]methanol?
[4-[1-[4-(hydroxymethyl)cyclohexyl]ethyl]cyclohexyl]methanol has a molecular weight of 254.41 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[4-(hydroxymethyl)cyclohexyl]ethyl]cyclohexyl]methanol is sourced from PubChem (CID 154096960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).