2-(hydroxymethyl)cyclohexane-1,4-diol

C7H14O3 — CID 130149312

IUPAC2-(hydroxymethyl)cyclohexane-1,4-diol
SMILESOCC1CC(O)CCC1O
InChIInChI=1S/C7H14O3/c8-4-5-3-6(9)1-2-7(5)10/h5-10H,1-4H2
InChIKeyAUAPMQNZKKUZIS-UHFFFAOYSA-N
MW146.19 g/mol
LogP-0.50
Rot. Bonds1

About 2-(hydroxymethyl)cyclohexane-1,4-diol

2-(hydroxymethyl)cyclohexane-1,4-diol (PubChem CID 130149312) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-(hydroxymethyl)cyclohexane-1,4-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)cyclohexane-1,4-diol
PubChem CID130149312
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name2-(hydroxymethyl)cyclohexane-1,4-diol
SMILESOCC1CC(O)CCC1O
InChIInChI=1S/C7H14O3/c8-4-5-3-6(9)1-2-7(5)10/h5-10H,1-4H2
InChIKeyAUAPMQNZKKUZIS-UHFFFAOYSA-N
XLogP-0.50
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(hydroxymethyl)cyclopentane-1,3-diol
CID 57158544
2-propylcyclohexane-1,4-diol
CID 89257932
5-(hydroxymethyl)cyclohexane-1,2,4-triol
CID 148585059
CID 167680665
CID 167680665
trans-(1R,3R)-3-(hydroxymethyl)cyclopentan-1-ol
CID 45098984
(1R,2R,3R,4S)-4-(hydroxymethyl)cyclohexane-1,2,3-triol
CID 6102431
[(2S)-2-iodocyclopropyl]methanol
CID 122684903
2,3,4-tris(hydroxymethyl)cyclohexan-1-ol
CID 175425260
cis-(1S,4R)-4-amino-2-(hydroxymethyl)cyclopentan-1-ol
CID 134358361
(1S,2S,3R,4R)-4-(hydroxymethyl)cyclopentane-1,2,3-triol
CID 10920662
[(2S)-2-(hydroxymethyl)cyclopropyl]methanol
CID 67842260
(1S,2S,4R)-4-cyclooctyl-2-(hydroxymethyl)cyclopentan-1-ol
CID 67518986

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)cyclohexane-1,4-diol?
The IUPAC name of 2-(hydroxymethyl)cyclohexane-1,4-diol (CID 130149312) is 2-(hydroxymethyl)cyclohexane-1,4-diol.
What is the SMILES notation for 2-(hydroxymethyl)cyclohexane-1,4-diol?
The canonical SMILES for 2-(hydroxymethyl)cyclohexane-1,4-diol is OCC1CC(O)CCC1O.
What is the InChIKey of 2-(hydroxymethyl)cyclohexane-1,4-diol?
The InChIKey is AUAPMQNZKKUZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c8-4-5-3-6(9)1-2-7(5)10/h5-10H,1-4H2.
What are the key properties of 2-(hydroxymethyl)cyclohexane-1,4-diol?
2-(hydroxymethyl)cyclohexane-1,4-diol has a molecular weight of 146.19 g/mol, XLogP of -0.50, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)cyclohexane-1,4-diol is sourced from PubChem (CID 130149312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).