4-methoxy-6-prop-2-enyl-1,3-benzodioxole

C11H12O3 — CID 4276

IUPAC4-methoxy-6-prop-2-enyl-1,3-benzodioxole
SMILESC=CCc1cc(OC)c2c(c1)OCO2
InChIInChI=1S/C11H12O3/c1-3-4-8-5-9(12-2)11-10(6-8)13-7-14-11/h3,5-6H,1,4,7H2,2H3
InChIKeyBNWJOHGLIBDBOB-UHFFFAOYSA-N
MW192.21 g/mol
LogP2.15
Rot. Bonds3

About 4-methoxy-6-prop-2-enyl-1,3-benzodioxole

4-methoxy-6-prop-2-enyl-1,3-benzodioxole (PubChem CID 4276) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 4-methoxy-6-prop-2-enyl-1,3-benzodioxole.

Molecular Properties

Compound Name4-methoxy-6-prop-2-enyl-1,3-benzodioxole
PubChem CID4276
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name4-methoxy-6-prop-2-enyl-1,3-benzodioxole
SMILESC=CCc1cc(OC)c2c(c1)OCO2
InChIInChI=1S/C11H12O3/c1-3-4-8-5-9(12-2)11-10(6-8)13-7-14-11/h3,5-6H,1,4,7H2,2H3
InChIKeyBNWJOHGLIBDBOB-UHFFFAOYSA-N
XLogP2.15
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-prop-2-enyl-1,3-benzodioxole?
The IUPAC name of 4-methoxy-6-prop-2-enyl-1,3-benzodioxole (CID 4276) is 4-methoxy-6-prop-2-enyl-1,3-benzodioxole.
What is the SMILES notation for 4-methoxy-6-prop-2-enyl-1,3-benzodioxole?
The canonical SMILES for 4-methoxy-6-prop-2-enyl-1,3-benzodioxole is C=CCc1cc(OC)c2c(c1)OCO2.
What is the InChIKey of 4-methoxy-6-prop-2-enyl-1,3-benzodioxole?
The InChIKey is BNWJOHGLIBDBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-3-4-8-5-9(12-2)11-10(6-8)13-7-14-11/h3,5-6H,1,4,7H2,2H3.
What are the key properties of 4-methoxy-6-prop-2-enyl-1,3-benzodioxole?
4-methoxy-6-prop-2-enyl-1,3-benzodioxole has a molecular weight of 192.21 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-prop-2-enyl-1,3-benzodioxole is sourced from PubChem (CID 4276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).