(5E)-5-benzylidene-6-methylidene-1,3-benzodioxole

C15H12O2 — CID 134993705

IUPAC(5E)-5-benzylidene-6-methylidene-1,3-benzodioxole
SMILESC=c1cc2c(c/c1=C\c1ccccc1)OCO2
InChIInChI=1S/C15H12O2/c1-11-7-14-15(17-10-16-14)9-13(11)8-12-5-3-2-4-6-12/h2-9H,1,10H2/b13-8+
InChIKeyXPLSZVAFXOUAMB-MDWZMJQESA-N
MW224.26 g/mol
LogP1.65
Rot. Bonds1

About (5E)-5-benzylidene-6-methylidene-1,3-benzodioxole

(5E)-5-benzylidene-6-methylidene-1,3-benzodioxole (PubChem CID 134993705) has the molecular formula C15H12O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is (5E)-5-benzylidene-6-methylidene-1,3-benzodioxole.

Molecular Properties

Compound Name(5E)-5-benzylidene-6-methylidene-1,3-benzodioxole
PubChem CID134993705
Molecular FormulaC15H12O2
Molecular Weight224.26 g/mol
Exact Mass224.08
IUPAC Name(5E)-5-benzylidene-6-methylidene-1,3-benzodioxole
SMILESC=c1cc2c(c/c1=C\c1ccccc1)OCO2
InChIInChI=1S/C15H12O2/c1-11-7-14-15(17-10-16-14)9-13(11)8-12-5-3-2-4-6-12/h2-9H,1,10H2/b13-8+
InChIKeyXPLSZVAFXOUAMB-MDWZMJQESA-N
XLogP1.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(7Z)-7-benzylidene-5H-furo[3,4-f][1,3]benzodioxole
CID 134862672
(5Z)-5-benzylidene-7,7-dimethylfuro[3,4-f][1,3]benzodioxole
CID 102593158
benzene;1,3-benzodioxole
CID 158998325
1,3-benzodioxole;ethene
CID 142820644
(Z)-N-(1,3-benzodioxol-5-yl)-2-phenylethenesulfonamide
CID 24867440
1,3-benzodioxole;hydrobromide
CID 172797493
1,3-benzodioxole;ethane;ethene
CID 143197375
1,3-benzodioxole;1,1'-biphenyl
CID 161120601
(6-diphenylphosphanyl-1,3-benzodioxol-5-yl)-diphenylphosphane
CID 18324341
5-(3-phenylprop-1-enyl)-1,3-benzodioxole
CID 154074400
5-(3-phenylprop-2-enoxy)-1,3-benzodioxole
CID 54275545
(E)-2-(1,3-benzodioxol-5-yl)-3-phenylprop-2-enenitrile
CID 126367090

Frequently Asked Questions

What is the IUPAC name of (5E)-5-benzylidene-6-methylidene-1,3-benzodioxole?
The IUPAC name of (5E)-5-benzylidene-6-methylidene-1,3-benzodioxole (CID 134993705) is (5E)-5-benzylidene-6-methylidene-1,3-benzodioxole.
What is the SMILES notation for (5E)-5-benzylidene-6-methylidene-1,3-benzodioxole?
The canonical SMILES for (5E)-5-benzylidene-6-methylidene-1,3-benzodioxole is C=c1cc2c(c/c1=C\c1ccccc1)OCO2.
What is the InChIKey of (5E)-5-benzylidene-6-methylidene-1,3-benzodioxole?
The InChIKey is XPLSZVAFXOUAMB-MDWZMJQESA-N. The full InChI is InChI=1S/C15H12O2/c1-11-7-14-15(17-10-16-14)9-13(11)8-12-5-3-2-4-6-12/h2-9H,1,10H2/b13-8+.
What are the key properties of (5E)-5-benzylidene-6-methylidene-1,3-benzodioxole?
(5E)-5-benzylidene-6-methylidene-1,3-benzodioxole has a molecular weight of 224.26 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-benzylidene-6-methylidene-1,3-benzodioxole is sourced from PubChem (CID 134993705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).