2,3,5,6-tetrahydro-1,4-benzodioxin-5-ol

C8H10O3 — CID 141234530

IUPAC2,3,5,6-tetrahydro-1,4-benzodioxin-5-ol
SMILESOC1CC=CC2=C1OCCO2
InChIInChI=1S/C8H10O3/c9-6-2-1-3-7-8(6)11-5-4-10-7/h1,3,6,9H,2,4-5H2
InChIKeyJRFKMSKBWZXODU-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.57
Rot. Bonds

About 2,3,5,6-tetrahydro-1,4-benzodioxin-5-ol

2,3,5,6-tetrahydro-1,4-benzodioxin-5-ol (PubChem CID 141234530) has the molecular formula C8H10O3 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2,3,5,6-tetrahydro-1,4-benzodioxin-5-ol.

Molecular Properties

Compound Name2,3,5,6-tetrahydro-1,4-benzodioxin-5-ol
PubChem CID141234530
Molecular FormulaC8H10O3
Molecular Weight154.17 g/mol
Exact Mass154.06
IUPAC Name2,3,5,6-tetrahydro-1,4-benzodioxin-5-ol
SMILESOC1CC=CC2=C1OCCO2
InChIInChI=1S/C8H10O3/c9-6-2-1-3-7-8(6)11-5-4-10-7/h1,3,6,9H,2,4-5H2
InChIKeyJRFKMSKBWZXODU-UHFFFAOYSA-N
XLogP0.57
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,3,5,6-tetrahydro-1,4-benzodioxin-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 2,3,5,6-tetrahydro-1,4-benzodioxin-5-ol?
The IUPAC name of 2,3,5,6-tetrahydro-1,4-benzodioxin-5-ol (CID 141234530) is 2,3,5,6-tetrahydro-1,4-benzodioxin-5-ol.
What is the SMILES notation for 2,3,5,6-tetrahydro-1,4-benzodioxin-5-ol?
The canonical SMILES for 2,3,5,6-tetrahydro-1,4-benzodioxin-5-ol is OC1CC=CC2=C1OCCO2.
What is the InChIKey of 2,3,5,6-tetrahydro-1,4-benzodioxin-5-ol?
The InChIKey is JRFKMSKBWZXODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c9-6-2-1-3-7-8(6)11-5-4-10-7/h1,3,6,9H,2,4-5H2.
What are the key properties of 2,3,5,6-tetrahydro-1,4-benzodioxin-5-ol?
2,3,5,6-tetrahydro-1,4-benzodioxin-5-ol has a molecular weight of 154.17 g/mol, XLogP of 0.57, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrahydro-1,4-benzodioxin-5-ol is sourced from PubChem (CID 141234530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).