2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxine

C12H14O2 — CID 794240

IUPAC2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxine
SMILESc1c2c(cc3c1OCCO3)CCCC2
InChIInChI=1S/C12H14O2/c1-2-4-10-8-12-11(7-9(10)3-1)13-5-6-14-12/h7-8H,1-6H2
InChIKeyJZDFJQUEOWGAFO-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.34
Rot. Bonds

About 2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxine

2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxine (PubChem CID 794240) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxine.

Molecular Properties

Compound Name2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxine
PubChem CID794240
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxine
SMILESc1c2c(cc3c1OCCO3)CCCC2
InChIInChI=1S/C12H14O2/c1-2-4-10-8-12-11(7-9(10)3-1)13-5-6-14-12/h7-8H,1-6H2
InChIKeyJZDFJQUEOWGAFO-UHFFFAOYSA-N
XLogP2.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxine?
The IUPAC name of 2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxine (CID 794240) is 2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxine.
What is the SMILES notation for 2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxine?
The canonical SMILES for 2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxine is c1c2c(cc3c1OCCO3)CCCC2.
What is the InChIKey of 2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxine?
The InChIKey is JZDFJQUEOWGAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-2-4-10-8-12-11(7-9(10)3-1)13-5-6-14-12/h7-8H,1-6H2.
What are the key properties of 2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxine?
2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxine has a molecular weight of 190.24 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxine is sourced from PubChem (CID 794240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).