4-methoxy-2H-pyran-2,3-diol

C6H8O4 — CID 57055822

IUPAC4-methoxy-2H-pyran-2,3-diol
SMILESCOC1=C(O)C(O)OC=C1
InChIInChI=1S/C6H8O4/c1-9-4-2-3-10-6(8)5(4)7/h2-3,6-8H,1H3
InChIKeyNKYDJEUGLHORQH-UHFFFAOYSA-N
MW144.13 g/mol
LogP0.26
Rot. Bonds1

About 4-methoxy-2H-pyran-2,3-diol

4-methoxy-2H-pyran-2,3-diol (PubChem CID 57055822) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is 4-methoxy-2H-pyran-2,3-diol.

Molecular Properties

Compound Name4-methoxy-2H-pyran-2,3-diol
PubChem CID57055822
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Name4-methoxy-2H-pyran-2,3-diol
SMILESCOC1=C(O)C(O)OC=C1
InChIInChI=1S/C6H8O4/c1-9-4-2-3-10-6(8)5(4)7/h2-3,6-8H,1H3
InChIKeyNKYDJEUGLHORQH-UHFFFAOYSA-N
XLogP0.26
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrandiol
CID 19065318
2H-pyran-2,3,4,5,6-pentol
CID 17794915
Pyran-2,2,3,4-tetrol
CID 21181997
2H-pyran-2,3,4,5-tetrol
CID 22648828
2H-pyran-2,3,4,6-tetrol
CID 68717687
6-methyl-2H-pyran-2-ol
CID 69176247
2,2-Dimethoxypyran-3-ol
CID 69385758
2,4-dimethoxy-2H-pyran-3-ol
CID 69385760
4-ethenyl-2H-pyran-2,3-diol
CID 69981277
2-ethoxy-2H-pyran-3,4-diol
CID 70378262
6-[(3,4-dihydroxy-2H-pyran-2-yl)oxy]-2H-pyran-4,5-diol
CID 70378264
2-[(3,4-dihydroxy-2H-pyran-2-yl)oxy]-2H-pyran-3,4-diol
CID 70378269

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2H-pyran-2,3-diol?
The IUPAC name of 4-methoxy-2H-pyran-2,3-diol (CID 57055822) is 4-methoxy-2H-pyran-2,3-diol.
What is the SMILES notation for 4-methoxy-2H-pyran-2,3-diol?
The canonical SMILES for 4-methoxy-2H-pyran-2,3-diol is COC1=C(O)C(O)OC=C1.
What is the InChIKey of 4-methoxy-2H-pyran-2,3-diol?
The InChIKey is NKYDJEUGLHORQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O4/c1-9-4-2-3-10-6(8)5(4)7/h2-3,6-8H,1H3.
What are the key properties of 4-methoxy-2H-pyran-2,3-diol?
4-methoxy-2H-pyran-2,3-diol has a molecular weight of 144.13 g/mol, XLogP of 0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2H-pyran-2,3-diol is sourced from PubChem (CID 57055822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).