1,3-benzodioxole;5-methyl-1,3-benzodioxole

C15H14O4 — CID 19894451

IUPAC1,3-benzodioxole;5-methyl-1,3-benzodioxole
SMILESCc1ccc2c(c1)OCO2.c1ccc2c(c1)OCO2
InChIInChI=1S/C8H8O2.C7H6O2/c1-6-2-3-7-8(4-6)10-5-9-7;1-2-4-7-6(3-1)8-5-9-7/h2-4H,5H2,1H3;1-4H,5H2
InChIKeyMYVKREGRVNONCC-UHFFFAOYSA-N
MW258.27 g/mol
LogP3.14
Rot. Bonds

About 1,3-benzodioxole;5-methyl-1,3-benzodioxole

1,3-benzodioxole;5-methyl-1,3-benzodioxole (PubChem CID 19894451) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 1,3-benzodioxole;5-methyl-1,3-benzodioxole.

Molecular Properties

Compound Name1,3-benzodioxole;5-methyl-1,3-benzodioxole
PubChem CID19894451
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name1,3-benzodioxole;5-methyl-1,3-benzodioxole
SMILESCc1ccc2c(c1)OCO2.c1ccc2c(c1)OCO2
InChIInChI=1S/C8H8O2.C7H6O2/c1-6-2-3-7-8(4-6)10-5-9-7;1-2-4-7-6(3-1)8-5-9-7/h2-4H,5H2,1H3;1-4H,5H2
InChIKeyMYVKREGRVNONCC-UHFFFAOYSA-N
XLogP3.14
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1,3-benzodioxole
CID 142082223
methane;5-methyl-1,3-benzodioxole;1,4-xylene
CID 160857167
ethane;4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole
CID 178084846
benzene;1,3-benzodioxole
CID 158998325
1,3-benzodioxole;hydrobromide
CID 172797493
7-methyl-3,4-dihydro-2H-1,5-benzodioxepin-3-ol
CID 16723715
14,30-dimethyl-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(28),12(17),13,15,29,31-hexaene
CID 90365748
1,3-benzodioxole;ethane;ethene
CID 143197375
1,3-benzodioxole;ethene
CID 142820644
5-(4-methylphenyl)sulfanyl-1,3-benzodioxole
CID 18712803
5-methyl-1,3-benzodioxole;pyrimidin-2-amine;quinolin-2-amine
CID 161368124
6-methyl-2,3-dihydro-1,4-benzodioxine;1-methylnaphthalene
CID 143901590

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxole;5-methyl-1,3-benzodioxole?
The IUPAC name of 1,3-benzodioxole;5-methyl-1,3-benzodioxole (CID 19894451) is 1,3-benzodioxole;5-methyl-1,3-benzodioxole.
What is the SMILES notation for 1,3-benzodioxole;5-methyl-1,3-benzodioxole?
The canonical SMILES for 1,3-benzodioxole;5-methyl-1,3-benzodioxole is Cc1ccc2c(c1)OCO2.c1ccc2c(c1)OCO2.
What is the InChIKey of 1,3-benzodioxole;5-methyl-1,3-benzodioxole?
The InChIKey is MYVKREGRVNONCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2.C7H6O2/c1-6-2-3-7-8(4-6)10-5-9-7;1-2-4-7-6(3-1)8-5-9-7/h2-4H,5H2,1H3;1-4H,5H2.
What are the key properties of 1,3-benzodioxole;5-methyl-1,3-benzodioxole?
1,3-benzodioxole;5-methyl-1,3-benzodioxole has a molecular weight of 258.27 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxole;5-methyl-1,3-benzodioxole is sourced from PubChem (CID 19894451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).