2-[3-(hydroxymethyl)cyclohexyl]propan-1-ol

C10H20O2 — CID 58104750

IUPAC2-[3-(hydroxymethyl)cyclohexyl]propan-1-ol
SMILESCC(CO)C1CCCC(CO)C1
InChIInChI=1S/C10H20O2/c1-8(6-11)10-4-2-3-9(5-10)7-12/h8-12H,2-7H2,1H3
InChIKeyIEDUUVVNMSRKOZ-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.41
Rot. Bonds3

About 2-[3-(hydroxymethyl)cyclohexyl]propan-1-ol

2-[3-(hydroxymethyl)cyclohexyl]propan-1-ol (PubChem CID 58104750) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)cyclohexyl]propan-1-ol.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)cyclohexyl]propan-1-ol
PubChem CID58104750
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-[3-(hydroxymethyl)cyclohexyl]propan-1-ol
SMILESCC(CO)C1CCCC(CO)C1
InChIInChI=1S/C10H20O2/c1-8(6-11)10-4-2-3-9(5-10)7-12/h8-12H,2-7H2,1H3
InChIKeyIEDUUVVNMSRKOZ-UHFFFAOYSA-N
XLogP1.41
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

amino-[3-(hydroxymethyl)cyclohexyl]methanol
CID 170005626
(2R)-2-cyclohexylpropan-1-ol
CID 10176192
2-cyclododecylpropan-1-ol;ethanol
CID 69400645
[(1R,3R)-3-propan-2-ylcyclopentyl]methanol
CID 59340916
1-[3-[2-[3-[1-[3-(1-hydroxyethyl)cyclohexyl]propan-2-yl]cyclohexyl]propyl]cyclohexyl]ethanol
CID 70901269
2-(3-methylcyclopentyl)propan-1-ol
CID 14039414
[(1S)-3-methylcyclohexyl]methanol
CID 89207619
[(1S,3R)-3-ethylcyclohexyl]methanol
CID 14940078
[(1R,3S)-3-(propan-2-ylamino)cyclopentyl]methanol
CID 170669831
cyclobutylmethanol;ethanol
CID 68532840
2-[3,5-di(propan-2-yl)cyclohexyl]propan-1-ol
CID 139761097
[4-[1-[4-(hydroxymethyl)cyclohexyl]ethyl]cyclohexyl]methanol
CID 154096960

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)cyclohexyl]propan-1-ol?
The IUPAC name of 2-[3-(hydroxymethyl)cyclohexyl]propan-1-ol (CID 58104750) is 2-[3-(hydroxymethyl)cyclohexyl]propan-1-ol.
What is the SMILES notation for 2-[3-(hydroxymethyl)cyclohexyl]propan-1-ol?
The canonical SMILES for 2-[3-(hydroxymethyl)cyclohexyl]propan-1-ol is CC(CO)C1CCCC(CO)C1.
What is the InChIKey of 2-[3-(hydroxymethyl)cyclohexyl]propan-1-ol?
The InChIKey is IEDUUVVNMSRKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-8(6-11)10-4-2-3-9(5-10)7-12/h8-12H,2-7H2,1H3.
What are the key properties of 2-[3-(hydroxymethyl)cyclohexyl]propan-1-ol?
2-[3-(hydroxymethyl)cyclohexyl]propan-1-ol has a molecular weight of 172.27 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)cyclohexyl]propan-1-ol is sourced from PubChem (CID 58104750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).