4H-1,3-dioxin-5-ol

C4H6O3 — CID 70384642

IUPAC4H-1,3-dioxin-5-ol
SMILESOC1=COCOC1
InChIInChI=1S/C4H6O3/c5-4-1-6-3-7-2-4/h1,5H,2-3H2
InChIKeyLKLYVHIXXWOVOF-UHFFFAOYSA-N
MW102.09 g/mol
LogP0.39
Rot. Bonds

About 4H-1,3-dioxin-5-ol

4H-1,3-dioxin-5-ol (PubChem CID 70384642) has the molecular formula C4H6O3 and a molecular weight of 102.09 g/mol. Its IUPAC name is 4H-1,3-dioxin-5-ol.

Molecular Properties

Compound Name4H-1,3-dioxin-5-ol
PubChem CID70384642
Molecular FormulaC4H6O3
Molecular Weight102.09 g/mol
Exact Mass102.03
IUPAC Name4H-1,3-dioxin-5-ol
SMILESOC1=COCOC1
InChIInChI=1S/C4H6O3/c5-4-1-6-3-7-2-4/h1,5H,2-3H2
InChIKeyLKLYVHIXXWOVOF-UHFFFAOYSA-N
XLogP0.39
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.09
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4H-1,3-dioxin-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4H-1,3-dioxin-5-ol?
The IUPAC name of 4H-1,3-dioxin-5-ol (CID 70384642) is 4H-1,3-dioxin-5-ol.
What is the SMILES notation for 4H-1,3-dioxin-5-ol?
The canonical SMILES for 4H-1,3-dioxin-5-ol is OC1=COCOC1.
What is the InChIKey of 4H-1,3-dioxin-5-ol?
The InChIKey is LKLYVHIXXWOVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O3/c5-4-1-6-3-7-2-4/h1,5H,2-3H2.
What are the key properties of 4H-1,3-dioxin-5-ol?
4H-1,3-dioxin-5-ol has a molecular weight of 102.09 g/mol, XLogP of 0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-1,3-dioxin-5-ol is sourced from PubChem (CID 70384642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).