5-methoxy-4-methyl-1,3-benzodioxole;5-methoxy-6-methyl-1,3-benzodioxole

C18H20O6 — CID 158028962

IUPAC5-methoxy-4-methyl-1,3-benzodioxole;5-methoxy-6-methyl-1,3-benzodioxole
SMILESCOc1cc2c(cc1C)OCO2.COc1ccc2c(c1C)OCO2
InChIInChI=1S/2C9H10O3/c1-6-3-8-9(12-5-11-8)4-7(6)10-2;1-6-7(10-2)3-4-8-9(6)12-5-11-8/h2*3-4H,5H2,1-2H3
InChIKeyFGYIYTVDLKJJTL-UHFFFAOYSA-N
MW332.35 g/mol
LogP3.46
Rot. Bonds2

About 5-methoxy-4-methyl-1,3-benzodioxole;5-methoxy-6-methyl-1,3-benzodioxole

5-methoxy-4-methyl-1,3-benzodioxole;5-methoxy-6-methyl-1,3-benzodioxole (PubChem CID 158028962) has the molecular formula C18H20O6 and a molecular weight of 332.35 g/mol. Its IUPAC name is 5-methoxy-4-methyl-1,3-benzodioxole;5-methoxy-6-methyl-1,3-benzodioxole.

Molecular Properties

Compound Name5-methoxy-4-methyl-1,3-benzodioxole;5-methoxy-6-methyl-1,3-benzodioxole
PubChem CID158028962
Molecular FormulaC18H20O6
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Name5-methoxy-4-methyl-1,3-benzodioxole;5-methoxy-6-methyl-1,3-benzodioxole
SMILESCOc1cc2c(cc1C)OCO2.COc1ccc2c(c1C)OCO2
InChIInChI=1S/2C9H10O3/c1-6-3-8-9(12-5-11-8)4-7(6)10-2;1-6-7(10-2)3-4-8-9(6)12-5-11-8/h2*3-4H,5H2,1-2H3
InChIKeyFGYIYTVDLKJJTL-UHFFFAOYSA-N
XLogP3.46
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4,5-dimethyl-1,3-benzodioxole
CID 12958464
4,5-dimethoxy-6-methyl-1,3-benzodioxole
CID 59720306
2-(5-methoxy-1,3-benzodioxol-4-yl)-2-oxoacetic acid
CID 117321217
(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-6-methoxy-5-methyl-1-benzofuran-3-one
CID 135053016
(2R)-1-amino-3-[(4-methyl-1,3-benzodioxol-5-yl)oxy]propan-2-ol
CID 59762015
2-(5-methoxy-1,3-benzodioxol-4-yl)propan-1-ol
CID 117300233
4,6-dimethyl-1,3-benzodioxol-5-ol
CID 59638998
5-[2-[4-[2-(3,4-dimethoxyphenyl)ethynyl]phenyl]ethynyl]-1,3-benzodioxole
CID 170459548
4-(5-methoxy-1,3-benzodioxol-4-yl)butanoic acid
CID 117348701
5-(6,7-dimethoxy-2,3-dimethylnaphthalen-1-yl)-1,3-benzodioxole
CID 71340713
5-methoxy-6-methylsulfanyl-1,3-benzodioxole
CID 123594562
5-methylbenzo[g][1,3]benzodioxole
CID 90367464

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-methyl-1,3-benzodioxole;5-methoxy-6-methyl-1,3-benzodioxole?
The IUPAC name of 5-methoxy-4-methyl-1,3-benzodioxole;5-methoxy-6-methyl-1,3-benzodioxole (CID 158028962) is 5-methoxy-4-methyl-1,3-benzodioxole;5-methoxy-6-methyl-1,3-benzodioxole.
What is the SMILES notation for 5-methoxy-4-methyl-1,3-benzodioxole;5-methoxy-6-methyl-1,3-benzodioxole?
The canonical SMILES for 5-methoxy-4-methyl-1,3-benzodioxole;5-methoxy-6-methyl-1,3-benzodioxole is COc1cc2c(cc1C)OCO2.COc1ccc2c(c1C)OCO2.
What is the InChIKey of 5-methoxy-4-methyl-1,3-benzodioxole;5-methoxy-6-methyl-1,3-benzodioxole?
The InChIKey is FGYIYTVDLKJJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H10O3/c1-6-3-8-9(12-5-11-8)4-7(6)10-2;1-6-7(10-2)3-4-8-9(6)12-5-11-8/h2*3-4H,5H2,1-2H3.
What are the key properties of 5-methoxy-4-methyl-1,3-benzodioxole;5-methoxy-6-methyl-1,3-benzodioxole?
5-methoxy-4-methyl-1,3-benzodioxole;5-methoxy-6-methyl-1,3-benzodioxole has a molecular weight of 332.35 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-methyl-1,3-benzodioxole;5-methoxy-6-methyl-1,3-benzodioxole is sourced from PubChem (CID 158028962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).