4,5-dimethoxy-6-prop-1-enyl-1,3-benzodioxole

C12H14O4 — CID 53397162

IUPAC4,5-dimethoxy-6-prop-1-enyl-1,3-benzodioxole
SMILESCC=Cc1cc2c(c(OC)c1OC)OCO2
InChIInChI=1S/C12H14O4/c1-4-5-8-6-9-11(16-7-15-9)12(14-3)10(8)13-2/h4-6H,7H2,1-3H3
InChIKeyOEDZKYGAFWDLGE-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.47
Rot. Bonds3

About 4,5-dimethoxy-6-prop-1-enyl-1,3-benzodioxole

4,5-dimethoxy-6-prop-1-enyl-1,3-benzodioxole (PubChem CID 53397162) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is 4,5-dimethoxy-6-prop-1-enyl-1,3-benzodioxole.

Molecular Properties

Compound Name4,5-dimethoxy-6-prop-1-enyl-1,3-benzodioxole
PubChem CID53397162
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name4,5-dimethoxy-6-prop-1-enyl-1,3-benzodioxole
SMILESCC=Cc1cc2c(c(OC)c1OC)OCO2
InChIInChI=1S/C12H14O4/c1-4-5-8-6-9-11(16-7-15-9)12(14-3)10(8)13-2/h4-6H,7H2,1-3H3
InChIKeyOEDZKYGAFWDLGE-UHFFFAOYSA-N
XLogP2.47
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,7-dimethoxy-5-[(E)-prop-1-enyl]-1,3-benzodioxole
CID 15559838
4,5-dimethoxy-6-methyl-1,3-benzodioxole
CID 59720306
(E)-3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-1-(2,5-dimethoxyphenyl)prop-2-en-1-one
CID 42647939
tert-butyl-[5-[(E)-2-(6,7-dimethoxy-1,3-benzodioxol-5-yl)ethenyl]-2-methoxyphenoxy]-dimethylsilane
CID 50900502
(E)-7-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-1,1-diphenylhept-6-en-1-ol
CID 71498941
N-(6-formyl-5-methoxy-1,3-benzodioxol-4-yl)acetamide
CID 84798418
4-[(Z)-prop-1-enyl]-1,3-benzodioxole
CID 89214713
4-[(E)-prop-1-enyl]-1,3-benzodioxole
CID 102486201
(E)-1-(6-hydroxy-4-methoxy-1,3-benzodioxol-5-yl)-3-(2,3,4,5-tetramethoxyphenyl)prop-2-en-1-one
CID 14332442
(1S)-1-(6-ethenyl-4-methoxy-1,3-benzodioxol-5-yl)ethane-1,2-diamine
CID 66517897
3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)propan-1-ol
CID 71202957
6-ethyl-4-methoxy-[1,3]dioxolo[4,5-g]isoquinolin-6-ium
CID 27151

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-6-prop-1-enyl-1,3-benzodioxole?
The IUPAC name of 4,5-dimethoxy-6-prop-1-enyl-1,3-benzodioxole (CID 53397162) is 4,5-dimethoxy-6-prop-1-enyl-1,3-benzodioxole.
What is the SMILES notation for 4,5-dimethoxy-6-prop-1-enyl-1,3-benzodioxole?
The canonical SMILES for 4,5-dimethoxy-6-prop-1-enyl-1,3-benzodioxole is CC=Cc1cc2c(c(OC)c1OC)OCO2.
What is the InChIKey of 4,5-dimethoxy-6-prop-1-enyl-1,3-benzodioxole?
The InChIKey is OEDZKYGAFWDLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c1-4-5-8-6-9-11(16-7-15-9)12(14-3)10(8)13-2/h4-6H,7H2,1-3H3.
What are the key properties of 4,5-dimethoxy-6-prop-1-enyl-1,3-benzodioxole?
4,5-dimethoxy-6-prop-1-enyl-1,3-benzodioxole has a molecular weight of 222.24 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-6-prop-1-enyl-1,3-benzodioxole is sourced from PubChem (CID 53397162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).