2,3-dihydro-1,4-benzodioxine

C8H8O2 — CID 10301

IUPAC2,3-dihydro-1,4-benzodioxine
SMILESc1ccc2c(c1)OCCO2
InChIInChI=1S/C8H8O2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-4H,5-6H2
InChIKeyBNBQRQQYDMDJAH-UHFFFAOYSA-N
MW136.15 g/mol
LogP1.46
Rot. Bonds

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

2,3-dihydro-1,4-benzodioxine (PubChem CID 10301) has the molecular formula C8H8O2 and a molecular weight of 136.15 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxine
PubChem CID10301
Molecular FormulaC8H8O2
Molecular Weight136.15 g/mol
Exact Mass136.05
IUPAC Name2,3-dihydro-1,4-benzodioxine
SMILESc1ccc2c(c1)OCCO2
InChIInChI=1S/C8H8O2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-4H,5-6H2
InChIKeyBNBQRQQYDMDJAH-UHFFFAOYSA-N
XLogP1.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 2,3-dihydro-1,4-benzodioxine (CID 10301) is 2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxine is c1ccc2c(c1)OCCO2.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxine?
The InChIKey is BNBQRQQYDMDJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-4H,5-6H2.
What are the key properties of 2,3-dihydro-1,4-benzodioxine?
2,3-dihydro-1,4-benzodioxine has a molecular weight of 136.15 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 10301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).