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

C10H10O3 — CID 102182518

IUPAC5-ethenyl-6-methoxy-1,3-benzodioxole
SMILESC=Cc1cc2c(cc1OC)OCO2
InChIInChI=1S/C10H10O3/c1-3-7-4-9-10(13-6-12-9)5-8(7)11-2/h3-5H,1,6H2,2H3
InChIKeyXHPGVMRSVZHDLW-UHFFFAOYSA-N
MW178.19 g/mol
LogP2.07
Rot. Bonds2

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

5-ethenyl-6-methoxy-1,3-benzodioxole (PubChem CID 102182518) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is 5-ethenyl-6-methoxy-1,3-benzodioxole.

Molecular Properties

Compound Name5-ethenyl-6-methoxy-1,3-benzodioxole
PubChem CID102182518
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name5-ethenyl-6-methoxy-1,3-benzodioxole
SMILESC=Cc1cc2c(cc1OC)OCO2
InChIInChI=1S/C10H10O3/c1-3-7-4-9-10(13-6-12-9)5-8(7)11-2/h3-5H,1,6H2,2H3
InChIKeyXHPGVMRSVZHDLW-UHFFFAOYSA-N
XLogP2.07
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethenyl-6-methoxy-2-methyl-1,3-benzodioxole
CID 142470845
6-ethenyl-7-methoxy-2H-chromene
CID 91748878
5-ethenyl-6-iodo-1,3-benzodioxole
CID 57443645
6-ethenyl-1,3-benzodioxole-5-carbaldehyde
CID 11159619
1-(6-methoxy-1,3-benzodioxol-5-yl)-N-(2-methylphenyl)methanimine
CID 126101527
5-methoxy-6-methylsulfanyl-1,3-benzodioxole
CID 123594562
N-(2,4-dimethylphenyl)-1-(6-methoxy-1,3-benzodioxol-5-yl)methanimine
CID 126104574
(E)-3-(6-methoxy-1,3-benzodioxol-5-yl)-2-phenylprop-2-enenitrile
CID 1082604
(5E)-5-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 2186162
6-(5-formyl-2-methoxyphenoxy)-1,3-benzodioxole-5-carbaldehyde
CID 14614193
3-(6-ethenyl-1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-prop-2-enylisoquinolin-1-one
CID 53497030
6-(2-methoxyphenyl)-1,3-benzodioxole-5-carbaldehyde
CID 172909252

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-6-methoxy-1,3-benzodioxole?
The IUPAC name of 5-ethenyl-6-methoxy-1,3-benzodioxole (CID 102182518) is 5-ethenyl-6-methoxy-1,3-benzodioxole.
What is the SMILES notation for 5-ethenyl-6-methoxy-1,3-benzodioxole?
The canonical SMILES for 5-ethenyl-6-methoxy-1,3-benzodioxole is C=Cc1cc2c(cc1OC)OCO2.
What is the InChIKey of 5-ethenyl-6-methoxy-1,3-benzodioxole?
The InChIKey is XHPGVMRSVZHDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c1-3-7-4-9-10(13-6-12-9)5-8(7)11-2/h3-5H,1,6H2,2H3.
What are the key properties of 5-ethenyl-6-methoxy-1,3-benzodioxole?
5-ethenyl-6-methoxy-1,3-benzodioxole has a molecular weight of 178.19 g/mol, XLogP of 2.07, 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-1,3-benzodioxole is sourced from PubChem (CID 102182518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).