5-bromo-2,3-dihydro-1,4-benzodioxine

C8H7BrO2 — CID 18787268

IUPAC5-bromo-2,3-dihydro-1,4-benzodioxine
SMILESBrc1cccc2c1OCCO2
InChIInChI=1S/C8H7BrO2/c9-6-2-1-3-7-8(6)11-5-4-10-7/h1-3H,4-5H2
InChIKeyNGOZRIZXELGVHK-UHFFFAOYSA-N
MW215.05 g/mol
LogP2.22
Rot. Bonds

About 5-bromo-2,3-dihydro-1,4-benzodioxine

5-bromo-2,3-dihydro-1,4-benzodioxine (PubChem CID 18787268) has the molecular formula C8H7BrO2 and a molecular weight of 215.05 g/mol. Its IUPAC name is 5-bromo-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name5-bromo-2,3-dihydro-1,4-benzodioxine
PubChem CID18787268
Molecular FormulaC8H7BrO2
Molecular Weight215.05 g/mol
Exact Mass213.96
IUPAC Name5-bromo-2,3-dihydro-1,4-benzodioxine
SMILESBrc1cccc2c1OCCO2
InChIInChI=1S/C8H7BrO2/c9-6-2-1-3-7-8(6)11-5-4-10-7/h1-3H,4-5H2
InChIKeyNGOZRIZXELGVHK-UHFFFAOYSA-N
XLogP2.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.05
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-2,3-dihydro-1,4-benzodioxine 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 5-bromo-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 5-bromo-2,3-dihydro-1,4-benzodioxine (CID 18787268) is 5-bromo-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 5-bromo-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 5-bromo-2,3-dihydro-1,4-benzodioxine is Brc1cccc2c1OCCO2.
What is the InChIKey of 5-bromo-2,3-dihydro-1,4-benzodioxine?
The InChIKey is NGOZRIZXELGVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrO2/c9-6-2-1-3-7-8(6)11-5-4-10-7/h1-3H,4-5H2.
What are the key properties of 5-bromo-2,3-dihydro-1,4-benzodioxine?
5-bromo-2,3-dihydro-1,4-benzodioxine has a molecular weight of 215.05 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 18787268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).