2H-pyran-2,3-diol

C5H6O3 — CID 19065318

IUPAC2H-pyran-2,3-diol
SMILESOC1=CC=COC1O
InChIInChI=1S/C5H6O3/c6-4-2-1-3-8-5(4)7/h1-3,5-7H
InChIKeyMXWKCJYCAHVAHK-UHFFFAOYSA-N
MW114.10 g/mol
LogP0.29
Rot. Bonds

About 2H-pyran-2,3-diol

2H-pyran-2,3-diol (PubChem CID 19065318) has the molecular formula C5H6O3 and a molecular weight of 114.10 g/mol. Its IUPAC name is 2H-pyran-2,3-diol.

Molecular Properties

Compound Name2H-pyran-2,3-diol
PubChem CID19065318
Molecular FormulaC5H6O3
Molecular Weight114.10 g/mol
Exact Mass114.03
IUPAC Name2H-pyran-2,3-diol
SMILESOC1=CC=COC1O
InChIInChI=1S/C5H6O3/c6-4-2-1-3-8-5(4)7/h1-3,5-7H
InChIKeyMXWKCJYCAHVAHK-UHFFFAOYSA-N
XLogP0.29
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.10
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-Fluoro-2-pyranol
CID 129712629
Pyrol
CID 14991078
2H-pyran-3-ol
CID 22143352
r-Hydroxy pyran
CID 54194109
Pyrol-water
CID 129675966
2,4-Dihydroxypyran
CID 129752220
4-fluoro-2H-pyran-2-ol
CID 157076667
3-fluoro-2H-pyran-2-ol
CID 173178233
2H-pyran-1-ium-2-ol
CID 139242841
2H-pyran-2,3,4,5,6-pentol
CID 17794915
2H-pyran-6-ylmethanol
CID 18724702
2H-pyran-2,6-diol
CID 18996542

Frequently Asked Questions

What is the IUPAC name of 2H-pyran-2,3-diol?
The IUPAC name of 2H-pyran-2,3-diol (CID 19065318) is 2H-pyran-2,3-diol.
What is the SMILES notation for 2H-pyran-2,3-diol?
The canonical SMILES for 2H-pyran-2,3-diol is OC1=CC=COC1O.
What is the InChIKey of 2H-pyran-2,3-diol?
The InChIKey is MXWKCJYCAHVAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O3/c6-4-2-1-3-8-5(4)7/h1-3,5-7H.
What are the key properties of 2H-pyran-2,3-diol?
2H-pyran-2,3-diol has a molecular weight of 114.10 g/mol, XLogP of 0.29, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyran-2,3-diol is sourced from PubChem (CID 19065318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).