2,3-dihydro-1,4-benzodioxin-6-ol

C8H8O3 — CID 9115273

IUPAC2,3-dihydro-1,4-benzodioxin-6-ol
SMILESOc1ccc2c(c1)OCCO2
InChIInChI=1S/C8H8O3/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5,9H,3-4H2
InChIKeyDBPZCGJRCAALLW-UHFFFAOYSA-N
MW152.15 g/mol
LogP1.16
Rot. Bonds

About 2,3-dihydro-1,4-benzodioxin-6-ol

2,3-dihydro-1,4-benzodioxin-6-ol (PubChem CID 9115273) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-6-ol.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-6-ol
PubChem CID9115273
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Name2,3-dihydro-1,4-benzodioxin-6-ol
SMILESOc1ccc2c(c1)OCCO2
InChIInChI=1S/C8H8O3/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5,9H,3-4H2
InChIKeyDBPZCGJRCAALLW-UHFFFAOYSA-N
XLogP1.16
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-ol?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-ol (CID 9115273) is 2,3-dihydro-1,4-benzodioxin-6-ol.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-6-ol?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-6-ol is Oc1ccc2c(c1)OCCO2.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-6-ol?
The InChIKey is DBPZCGJRCAALLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5,9H,3-4H2.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-6-ol?
2,3-dihydro-1,4-benzodioxin-6-ol has a molecular weight of 152.15 g/mol, XLogP of 1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-6-ol is sourced from PubChem (CID 9115273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).