5-ethenyl-6-methoxy-2-methyl-1,3-benzodioxole

C11H12O3 — CID 142470845

IUPAC5-ethenyl-6-methoxy-2-methyl-1,3-benzodioxole
SMILESC=Cc1cc2c(cc1OC)OC(C)O2
InChIInChI=1S/C11H12O3/c1-4-8-5-10-11(6-9(8)12-3)14-7(2)13-10/h4-7H,1H2,2-3H3
InChIKeyXFNNJCLGAJQFFO-UHFFFAOYSA-N
MW192.21 g/mol
LogP2.46
Rot. Bonds2

About 5-ethenyl-6-methoxy-2-methyl-1,3-benzodioxole

5-ethenyl-6-methoxy-2-methyl-1,3-benzodioxole (PubChem CID 142470845) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 5-ethenyl-6-methoxy-2-methyl-1,3-benzodioxole.

Molecular Properties

Compound Name5-ethenyl-6-methoxy-2-methyl-1,3-benzodioxole
PubChem CID142470845
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name5-ethenyl-6-methoxy-2-methyl-1,3-benzodioxole
SMILESC=Cc1cc2c(cc1OC)OC(C)O2
InChIInChI=1S/C11H12O3/c1-4-8-5-10-11(6-9(8)12-3)14-7(2)13-10/h4-7H,1H2,2-3H3
InChIKeyXFNNJCLGAJQFFO-UHFFFAOYSA-N
XLogP2.46
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-6-methoxy-2-methyl-1,3-benzodioxole?
The IUPAC name of 5-ethenyl-6-methoxy-2-methyl-1,3-benzodioxole (CID 142470845) is 5-ethenyl-6-methoxy-2-methyl-1,3-benzodioxole.
What is the SMILES notation for 5-ethenyl-6-methoxy-2-methyl-1,3-benzodioxole?
The canonical SMILES for 5-ethenyl-6-methoxy-2-methyl-1,3-benzodioxole is C=Cc1cc2c(cc1OC)OC(C)O2.
What is the InChIKey of 5-ethenyl-6-methoxy-2-methyl-1,3-benzodioxole?
The InChIKey is XFNNJCLGAJQFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-4-8-5-10-11(6-9(8)12-3)14-7(2)13-10/h4-7H,1H2,2-3H3.
What are the key properties of 5-ethenyl-6-methoxy-2-methyl-1,3-benzodioxole?
5-ethenyl-6-methoxy-2-methyl-1,3-benzodioxole has a molecular weight of 192.21 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-6-methoxy-2-methyl-1,3-benzodioxole is sourced from PubChem (CID 142470845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).