(7Z)-7-benzylidene-5H-furo[3,4-f][1,3]benzodioxole

C16H12O3 — CID 134862672

IUPAC(7Z)-7-benzylidene-5H-furo[3,4-f][1,3]benzodioxole
SMILESC(=C1\OCc2cc3c(cc21)OCO3)\c1ccccc1
InChIInChI=1S/C16H12O3/c1-2-4-11(5-3-1)6-14-13-8-16-15(18-10-19-16)7-12(13)9-17-14/h1-8H,9-10H2/b14-6-
InChIKeyVMZLOIASPPXCBR-NSIKDUERSA-N
MW252.27 g/mol
LogP3.44
Rot. Bonds1

About (7Z)-7-benzylidene-5H-furo[3,4-f][1,3]benzodioxole

(7Z)-7-benzylidene-5H-furo[3,4-f][1,3]benzodioxole (PubChem CID 134862672) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is (7Z)-7-benzylidene-5H-furo[3,4-f][1,3]benzodioxole.

Molecular Properties

Compound Name(7Z)-7-benzylidene-5H-furo[3,4-f][1,3]benzodioxole
PubChem CID134862672
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Name(7Z)-7-benzylidene-5H-furo[3,4-f][1,3]benzodioxole
SMILESC(=C1\OCc2cc3c(cc21)OCO3)\c1ccccc1
InChIInChI=1S/C16H12O3/c1-2-4-11(5-3-1)6-14-13-8-16-15(18-10-19-16)7-12(13)9-17-14/h1-8H,9-10H2/b14-6-
InChIKeyVMZLOIASPPXCBR-NSIKDUERSA-N
XLogP3.44
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-5-benzylidene-7,7-dimethylfuro[3,4-f][1,3]benzodioxole
CID 102593158
(5E)-5-benzylidene-6-methylidene-1,3-benzodioxole
CID 134993705
(3E)-3-[(3-chlorophenyl)methylidene]-1H-2-benzofuran
CID 134982021
3-(1,3-benzodioxol-5-ylmethylidene)-2-benzofuran-1-one
CID 71353553
benzene;1,3-benzodioxole
CID 158998325
8-benzylidene-7-oxabicyclo[4.2.0]octa-1,3,5-triene
CID 70426487
3-benzylidene-1-benzofuran
CID 72960863
(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-1-benzofuran-3-one
CID 14547034
4-benzylidene-6,7-dimethoxy-1H-isochromen-3-one
CID 766341
(E)-2-(1,3-benzodioxol-5-yl)-3-phenylprop-2-enenitrile
CID 126367090
3-benzylidene-2-benzofuran-1-thione
CID 71400052
(7E)-7-[(3-fluorophenyl)methylidene]-[1,3]dioxolo[4,5-g]chromen-8-one
CID 60602379

Frequently Asked Questions

What is the IUPAC name of (7Z)-7-benzylidene-5H-furo[3,4-f][1,3]benzodioxole?
The IUPAC name of (7Z)-7-benzylidene-5H-furo[3,4-f][1,3]benzodioxole (CID 134862672) is (7Z)-7-benzylidene-5H-furo[3,4-f][1,3]benzodioxole.
What is the SMILES notation for (7Z)-7-benzylidene-5H-furo[3,4-f][1,3]benzodioxole?
The canonical SMILES for (7Z)-7-benzylidene-5H-furo[3,4-f][1,3]benzodioxole is C(=C1\OCc2cc3c(cc21)OCO3)\c1ccccc1.
What is the InChIKey of (7Z)-7-benzylidene-5H-furo[3,4-f][1,3]benzodioxole?
The InChIKey is VMZLOIASPPXCBR-NSIKDUERSA-N. The full InChI is InChI=1S/C16H12O3/c1-2-4-11(5-3-1)6-14-13-8-16-15(18-10-19-16)7-12(13)9-17-14/h1-8H,9-10H2/b14-6-.
What are the key properties of (7Z)-7-benzylidene-5H-furo[3,4-f][1,3]benzodioxole?
(7Z)-7-benzylidene-5H-furo[3,4-f][1,3]benzodioxole has a molecular weight of 252.27 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-7-benzylidene-5H-furo[3,4-f][1,3]benzodioxole is sourced from PubChem (CID 134862672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).