4,9-dimethoxybenzo[f][1,3]benzodioxole

C13H12O4 — CID 12558262

IUPAC4,9-dimethoxybenzo[f][1,3]benzodioxole
SMILESCOc1c2c(c(OC)c3ccccc13)OCO2
InChIInChI=1S/C13H12O4/c1-14-10-8-5-3-4-6-9(8)11(15-2)13-12(10)16-7-17-13/h3-6H,7H2,1-2H3
InChIKeyTYUZNCUSMBTHNZ-UHFFFAOYSA-N
MW232.23 g/mol
LogP2.59
Rot. Bonds2

About 4,9-dimethoxybenzo[f][1,3]benzodioxole

4,9-dimethoxybenzo[f][1,3]benzodioxole (PubChem CID 12558262) has the molecular formula C13H12O4 and a molecular weight of 232.23 g/mol. Its IUPAC name is 4,9-dimethoxybenzo[f][1,3]benzodioxole.

Molecular Properties

Compound Name4,9-dimethoxybenzo[f][1,3]benzodioxole
PubChem CID12558262
Molecular FormulaC13H12O4
Molecular Weight232.23 g/mol
Exact Mass232.07
IUPAC Name4,9-dimethoxybenzo[f][1,3]benzodioxole
SMILESCOc1c2c(c(OC)c3ccccc13)OCO2
InChIInChI=1S/C13H12O4/c1-14-10-8-5-3-4-6-9(8)11(15-2)13-12(10)16-7-17-13/h3-6H,7H2,1-2H3
InChIKeyTYUZNCUSMBTHNZ-UHFFFAOYSA-N
XLogP2.59
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,9-dimethoxybenzo[f][1,3]benzodioxole?
The IUPAC name of 4,9-dimethoxybenzo[f][1,3]benzodioxole (CID 12558262) is 4,9-dimethoxybenzo[f][1,3]benzodioxole.
What is the SMILES notation for 4,9-dimethoxybenzo[f][1,3]benzodioxole?
The canonical SMILES for 4,9-dimethoxybenzo[f][1,3]benzodioxole is COc1c2c(c(OC)c3ccccc13)OCO2.
What is the InChIKey of 4,9-dimethoxybenzo[f][1,3]benzodioxole?
The InChIKey is TYUZNCUSMBTHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O4/c1-14-10-8-5-3-4-6-9(8)11(15-2)13-12(10)16-7-17-13/h3-6H,7H2,1-2H3.
What are the key properties of 4,9-dimethoxybenzo[f][1,3]benzodioxole?
4,9-dimethoxybenzo[f][1,3]benzodioxole has a molecular weight of 232.23 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-dimethoxybenzo[f][1,3]benzodioxole is sourced from PubChem (CID 12558262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).