4,5-dimethoxy-6-methyl-1,3-benzodioxole

C10H12O4 — CID 59720306

IUPAC4,5-dimethoxy-6-methyl-1,3-benzodioxole
SMILESCOc1c(C)cc2c(c1OC)OCO2
InChIInChI=1S/C10H12O4/c1-6-4-7-9(14-5-13-7)10(12-3)8(6)11-2/h4H,5H2,1-3H3
InChIKeyBGZFYQFOBWRILS-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.74
Rot. Bonds2

About 4,5-dimethoxy-6-methyl-1,3-benzodioxole

4,5-dimethoxy-6-methyl-1,3-benzodioxole (PubChem CID 59720306) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 4,5-dimethoxy-6-methyl-1,3-benzodioxole.

Molecular Properties

Compound Name4,5-dimethoxy-6-methyl-1,3-benzodioxole
PubChem CID59720306
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name4,5-dimethoxy-6-methyl-1,3-benzodioxole
SMILESCOc1c(C)cc2c(c1OC)OCO2
InChIInChI=1S/C10H12O4/c1-6-4-7-9(14-5-13-7)10(12-3)8(6)11-2/h4H,5H2,1-3H3
InChIKeyBGZFYQFOBWRILS-UHFFFAOYSA-N
XLogP1.74
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methylbenzo[g][1,3]benzodioxole
CID 90367464
4,5-dimethoxy-6-prop-1-enyl-1,3-benzodioxole
CID 53397162
3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)propan-1-ol
CID 71202957
2-(7-methoxy-6-methyl-1,3-benzodioxol-5-yl)-N-methylethanamine
CID 45097791
ethane;4-methoxy-8-methyl-[1,3]dioxolo[4,5-g]quinazoline
CID 142542894
(4-methoxy-1,3-benzodioxol-5-yl)methanamine
CID 21294011
5-methoxy-4-methyl-1,3-benzodioxole;5-methoxy-6-methyl-1,3-benzodioxole
CID 158028962
N-(2-methoxy-3-methylphenyl)-1,3-benzodioxol-4-amine
CID 171920461
2-(4-methoxy-1,3-benzodioxol-5-yl)ethanamine
CID 11127161
4,9-dimethoxybenzo[f][1,3]benzodioxole
CID 12558262
6-ethyl-4-methoxy-[1,3]dioxolo[4,5-g]isoquinolin-6-ium
CID 27151
4,6-dimethyl-1,3-benzodioxol-5-ol
CID 59638998

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-6-methyl-1,3-benzodioxole?
The IUPAC name of 4,5-dimethoxy-6-methyl-1,3-benzodioxole (CID 59720306) is 4,5-dimethoxy-6-methyl-1,3-benzodioxole.
What is the SMILES notation for 4,5-dimethoxy-6-methyl-1,3-benzodioxole?
The canonical SMILES for 4,5-dimethoxy-6-methyl-1,3-benzodioxole is COc1c(C)cc2c(c1OC)OCO2.
What is the InChIKey of 4,5-dimethoxy-6-methyl-1,3-benzodioxole?
The InChIKey is BGZFYQFOBWRILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-6-4-7-9(14-5-13-7)10(12-3)8(6)11-2/h4H,5H2,1-3H3.
What are the key properties of 4,5-dimethoxy-6-methyl-1,3-benzodioxole?
4,5-dimethoxy-6-methyl-1,3-benzodioxole has a molecular weight of 196.20 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-6-methyl-1,3-benzodioxole is sourced from PubChem (CID 59720306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).