7-methyl-6,7-dihydrofuro[3,2-g][1,3]benzodioxole

C10H10O3 — CID 86150963

IUPAC7-methyl-6,7-dihydrofuro[3,2-g][1,3]benzodioxole
SMILESCC1Cc2ccc3c(c2O1)OCO3
InChIInChI=1S/C10H10O3/c1-6-4-7-2-3-8-10(9(7)13-6)12-5-11-8/h2-3,6H,4-5H2,1H3
InChIKeyQBRRBEBZLAWDDF-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.74
Rot. Bonds

About 7-methyl-6,7-dihydrofuro[3,2-g][1,3]benzodioxole

7-methyl-6,7-dihydrofuro[3,2-g][1,3]benzodioxole (PubChem CID 86150963) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is 7-methyl-6,7-dihydrofuro[3,2-g][1,3]benzodioxole.

Molecular Properties

Compound Name7-methyl-6,7-dihydrofuro[3,2-g][1,3]benzodioxole
PubChem CID86150963
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name7-methyl-6,7-dihydrofuro[3,2-g][1,3]benzodioxole
SMILESCC1Cc2ccc3c(c2O1)OCO3
InChIInChI=1S/C10H10O3/c1-6-4-7-2-3-8-10(9(7)13-6)12-5-11-8/h2-3,6H,4-5H2,1H3
InChIKeyQBRRBEBZLAWDDF-UHFFFAOYSA-N
XLogP1.74
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-6,7-dihydrofuro[3,2-g][1,3]benzodioxole?
The IUPAC name of 7-methyl-6,7-dihydrofuro[3,2-g][1,3]benzodioxole (CID 86150963) is 7-methyl-6,7-dihydrofuro[3,2-g][1,3]benzodioxole.
What is the SMILES notation for 7-methyl-6,7-dihydrofuro[3,2-g][1,3]benzodioxole?
The canonical SMILES for 7-methyl-6,7-dihydrofuro[3,2-g][1,3]benzodioxole is CC1Cc2ccc3c(c2O1)OCO3.
What is the InChIKey of 7-methyl-6,7-dihydrofuro[3,2-g][1,3]benzodioxole?
The InChIKey is QBRRBEBZLAWDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c1-6-4-7-2-3-8-10(9(7)13-6)12-5-11-8/h2-3,6H,4-5H2,1H3.
What are the key properties of 7-methyl-6,7-dihydrofuro[3,2-g][1,3]benzodioxole?
7-methyl-6,7-dihydrofuro[3,2-g][1,3]benzodioxole has a molecular weight of 178.19 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6,7-dihydrofuro[3,2-g][1,3]benzodioxole is sourced from PubChem (CID 86150963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).