[(1R,2S)-2-(hydroxymethyl)cyclohexyl]methanol

C8H16O2 — CID 2724019

IUPAC[(1R,2S)-2-(hydroxymethyl)cyclohexyl]methanol
SMILESOC[C@@H]1CCCC[C@@H]1CO
InChIInChI=1S/C8H16O2/c9-5-7-3-1-2-4-8(7)6-10/h7-10H,1-6H2/t7-,8+
InChIKeyXDODWINGEHBYRT-OCAPTIKFSA-N
MW144.21 g/mol
LogP0.78
Rot. Bonds2

About [(1R,2S)-2-(hydroxymethyl)cyclohexyl]methanol

[(1R,2S)-2-(hydroxymethyl)cyclohexyl]methanol (PubChem CID 2724019) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is [(1R,2S)-2-(hydroxymethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[(1R,2S)-2-(hydroxymethyl)cyclohexyl]methanol
PubChem CID2724019
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name[(1R,2S)-2-(hydroxymethyl)cyclohexyl]methanol
SMILESOC[C@@H]1CCCC[C@@H]1CO
InChIInChI=1S/C8H16O2/c9-5-7-3-1-2-4-8(7)6-10/h7-10H,1-6H2/t7-,8+
InChIKeyXDODWINGEHBYRT-OCAPTIKFSA-N
XLogP0.78
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-(hydroxymethyl)cyclohexyl]methanol?
The IUPAC name of [(1R,2S)-2-(hydroxymethyl)cyclohexyl]methanol (CID 2724019) is [(1R,2S)-2-(hydroxymethyl)cyclohexyl]methanol.
What is the SMILES notation for [(1R,2S)-2-(hydroxymethyl)cyclohexyl]methanol?
The canonical SMILES for [(1R,2S)-2-(hydroxymethyl)cyclohexyl]methanol is OC[C@@H]1CCCC[C@@H]1CO.
What is the InChIKey of [(1R,2S)-2-(hydroxymethyl)cyclohexyl]methanol?
The InChIKey is XDODWINGEHBYRT-OCAPTIKFSA-N. The full InChI is InChI=1S/C8H16O2/c9-5-7-3-1-2-4-8(7)6-10/h7-10H,1-6H2/t7-,8+.
What are the key properties of [(1R,2S)-2-(hydroxymethyl)cyclohexyl]methanol?
[(1R,2S)-2-(hydroxymethyl)cyclohexyl]methanol has a molecular weight of 144.21 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-(hydroxymethyl)cyclohexyl]methanol is sourced from PubChem (CID 2724019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).