(1S,2S,3S)-3-(hydroxymethyl)cyclohexane-1,2-diol

C7H14O3 — CID 161165150

IUPAC(1S,2S,3S)-3-(hydroxymethyl)cyclohexane-1,2-diol
SMILESOC[C@@H]1CCC[C@H](O)[C@H]1O
InChIInChI=1S/C7H14O3/c8-4-5-2-1-3-6(9)7(5)10/h5-10H,1-4H2/t5-,6-,7-/m0/s1
InChIKeyUQKUKUZTNBVUML-ACZMJKKPSA-N
MW146.19 g/mol
LogP-0.50
Rot. Bonds1

About (1S,2S,3S)-3-(hydroxymethyl)cyclohexane-1,2-diol

(1S,2S,3S)-3-(hydroxymethyl)cyclohexane-1,2-diol (PubChem CID 161165150) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is (1S,2S,3S)-3-(hydroxymethyl)cyclohexane-1,2-diol.

Molecular Properties

Compound Name(1S,2S,3S)-3-(hydroxymethyl)cyclohexane-1,2-diol
PubChem CID161165150
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name(1S,2S,3S)-3-(hydroxymethyl)cyclohexane-1,2-diol
SMILESOC[C@@H]1CCC[C@H](O)[C@H]1O
InChIInChI=1S/C7H14O3/c8-4-5-2-1-3-6(9)7(5)10/h5-10H,1-4H2/t5-,6-,7-/m0/s1
InChIKeyUQKUKUZTNBVUML-ACZMJKKPSA-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

(1R,2R,3R,4S)-4-(hydroxymethyl)cyclohexane-1,2,3-triol
CID 6102431
cis-(1R,2S)-2-(2-hydroxyethyl)cyclohexan-1-ol
CID 71357650
2-[[2-(hydroxymethyl)cyclohexyl]amino]cyclopentan-1-ol
CID 106361174
2-[[2-(hydroxymethyl)cyclohexyl]amino]cycloheptan-1-ol
CID 106361103
ethane;2-ethylcyclopentan-1-ol
CID 144624771
trans-(1S,2S)-2-(aminomethyl)cyclopentan-1-ol;hydrochloride
CID 134691166
(1S,2S,3R,4R)-4-(hydroxymethyl)cyclopentane-1,2,3-triol
CID 10920662
2-[[(1R,2S)-2-(hydroxymethyl)cyclopentyl]amino]ethanol
CID 131230127
2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]cyclopentan-1-ol
CID 62610274
1-(2,3-dihydroxycyclohexyl)-5-methylhexan-2-one
CID 10561343
(3R,4R)-5-(hydroxymethyl)piperidine-3,4-diol;(3R,4R,5R)-5-(hydroxymethyl)piperidine-3,4-diol
CID 159190224
(2,3-dimethylcyclohexyl)methanol
CID 58590234

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S)-3-(hydroxymethyl)cyclohexane-1,2-diol?
The IUPAC name of (1S,2S,3S)-3-(hydroxymethyl)cyclohexane-1,2-diol (CID 161165150) is (1S,2S,3S)-3-(hydroxymethyl)cyclohexane-1,2-diol.
What is the SMILES notation for (1S,2S,3S)-3-(hydroxymethyl)cyclohexane-1,2-diol?
The canonical SMILES for (1S,2S,3S)-3-(hydroxymethyl)cyclohexane-1,2-diol is OC[C@@H]1CCC[C@H](O)[C@H]1O.
What is the InChIKey of (1S,2S,3S)-3-(hydroxymethyl)cyclohexane-1,2-diol?
The InChIKey is UQKUKUZTNBVUML-ACZMJKKPSA-N. The full InChI is InChI=1S/C7H14O3/c8-4-5-2-1-3-6(9)7(5)10/h5-10H,1-4H2/t5-,6-,7-/m0/s1.
What are the key properties of (1S,2S,3S)-3-(hydroxymethyl)cyclohexane-1,2-diol?
(1S,2S,3S)-3-(hydroxymethyl)cyclohexane-1,2-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 (1S,2S,3S)-3-(hydroxymethyl)cyclohexane-1,2-diol is sourced from PubChem (CID 161165150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).