2H-pyran-2,6-diol

C5H6O3 — CID 18996542

IUPAC2H-pyran-2,6-diol
SMILESOC1=CC=CC(O)O1
InChIInChI=1S/C5H6O3/c6-4-2-1-3-5(7)8-4/h1-4,6-7H
InChIKeyVGGAAOKAPYRYSN-UHFFFAOYSA-N
MW114.10 g/mol
LogP0.29
Rot. Bonds

About 2H-pyran-2,6-diol

2H-pyran-2,6-diol (PubChem CID 18996542) has the molecular formula C5H6O3 and a molecular weight of 114.10 g/mol. Its IUPAC name is 2H-pyran-2,6-diol.

Molecular Properties

Compound Name2H-pyran-2,6-diol
PubChem CID18996542
Molecular FormulaC5H6O3
Molecular Weight114.10 g/mol
Exact Mass114.03
IUPAC Name2H-pyran-2,6-diol
SMILESOC1=CC=CC(O)O1
InChIInChI=1S/C5H6O3/c6-4-2-1-3-5(7)8-4/h1-4,6-7H
InChIKeyVGGAAOKAPYRYSN-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

Pyranol
CID 6452697
6-Fluoro-2-pyranol
CID 129712629
2-Hydroxy-5-methylene-2,5-dihydrofuran
CID 13433790
Pyrol
CID 14991078
Pyrandiol
CID 19065318
Oxypyrol
CID 22345870
r-Hydroxy pyran
CID 54194109
Pyrol-water
CID 129675966
2,4-Dihydroxypyran
CID 129752220
Bromopyrol
CID 153969082
2-Fluoropyran-2-ol
CID 18184935
6-(trifluoromethyl)-2H-pyran-2-ol
CID 151173076

Frequently Asked Questions

What is the IUPAC name of 2H-pyran-2,6-diol?
The IUPAC name of 2H-pyran-2,6-diol (CID 18996542) is 2H-pyran-2,6-diol.
What is the SMILES notation for 2H-pyran-2,6-diol?
The canonical SMILES for 2H-pyran-2,6-diol is OC1=CC=CC(O)O1.
What is the InChIKey of 2H-pyran-2,6-diol?
The InChIKey is VGGAAOKAPYRYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O3/c6-4-2-1-3-5(7)8-4/h1-4,6-7H.
What are the key properties of 2H-pyran-2,6-diol?
2H-pyran-2,6-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-2,6-diol is sourced from PubChem (CID 18996542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).