2H-pyran-3-ol

C5H6O2 — CID 22143352

IUPAC2H-pyran-3-ol
SMILESOC1=CC=COC1
InChIInChI=1S/C5H6O2/c6-5-2-1-3-7-4-5/h1-3,6H,4H2
InChIKeyWXLPKTIAUMCNDX-UHFFFAOYSA-N
MW98.10 g/mol
LogP0.97
Rot. Bonds

About 2H-pyran-3-ol

2H-pyran-3-ol (PubChem CID 22143352) has the molecular formula C5H6O2 and a molecular weight of 98.10 g/mol. Its IUPAC name is 2H-pyran-3-ol.

Molecular Properties

Compound Name2H-pyran-3-ol
PubChem CID22143352
Molecular FormulaC5H6O2
Molecular Weight98.10 g/mol
Exact Mass98.04
IUPAC Name2H-pyran-3-ol
SMILESOC1=CC=COC1
InChIInChI=1S/C5H6O2/c6-5-2-1-3-7-4-5/h1-3,6H,4H2
InChIKeyWXLPKTIAUMCNDX-UHFFFAOYSA-N
XLogP0.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.10
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-pyran-3-ol?
The IUPAC name of 2H-pyran-3-ol (CID 22143352) is 2H-pyran-3-ol.
What is the SMILES notation for 2H-pyran-3-ol?
The canonical SMILES for 2H-pyran-3-ol is OC1=CC=COC1.
What is the InChIKey of 2H-pyran-3-ol?
The InChIKey is WXLPKTIAUMCNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O2/c6-5-2-1-3-7-4-5/h1-3,6H,4H2.
What are the key properties of 2H-pyran-3-ol?
2H-pyran-3-ol has a molecular weight of 98.10 g/mol, XLogP of 0.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyran-3-ol is sourced from PubChem (CID 22143352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).