2-[1-(hydroxymethyl)cyclohexyl]ethanol

C9H18O2 — CID 549157

IUPAC2-[1-(hydroxymethyl)cyclohexyl]ethanol
SMILESOCCC1(CO)CCCCC1
InChIInChI=1S/C9H18O2/c10-7-6-9(8-11)4-2-1-3-5-9/h10-11H,1-8H2
InChIKeyINUWAALKYXUUGF-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.31
Rot. Bonds3

About 2-[1-(hydroxymethyl)cyclohexyl]ethanol

2-[1-(hydroxymethyl)cyclohexyl]ethanol (PubChem CID 549157) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-[1-(hydroxymethyl)cyclohexyl]ethanol.

Molecular Properties

Compound Name2-[1-(hydroxymethyl)cyclohexyl]ethanol
PubChem CID549157
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name2-[1-(hydroxymethyl)cyclohexyl]ethanol
SMILESOCCC1(CO)CCCCC1
InChIInChI=1S/C9H18O2/c10-7-6-9(8-11)4-2-1-3-5-9/h10-11H,1-8H2
InChIKeyINUWAALKYXUUGF-UHFFFAOYSA-N
XLogP1.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(hydroxymethyl)cyclohexyl]ethanol?
The IUPAC name of 2-[1-(hydroxymethyl)cyclohexyl]ethanol (CID 549157) is 2-[1-(hydroxymethyl)cyclohexyl]ethanol.
What is the SMILES notation for 2-[1-(hydroxymethyl)cyclohexyl]ethanol?
The canonical SMILES for 2-[1-(hydroxymethyl)cyclohexyl]ethanol is OCCC1(CO)CCCCC1.
What is the InChIKey of 2-[1-(hydroxymethyl)cyclohexyl]ethanol?
The InChIKey is INUWAALKYXUUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c10-7-6-9(8-11)4-2-1-3-5-9/h10-11H,1-8H2.
What are the key properties of 2-[1-(hydroxymethyl)cyclohexyl]ethanol?
2-[1-(hydroxymethyl)cyclohexyl]ethanol has a molecular weight of 158.24 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(hydroxymethyl)cyclohexyl]ethanol is sourced from PubChem (CID 549157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).