8-benzylidene-7-oxabicyclo[4.2.0]octa-1,3,5-triene

C14H10O — CID 70426487

IUPAC8-benzylidene-7-oxabicyclo[4.2.0]octa-1,3,5-triene
SMILESC(=C1Oc2ccccc21)c1ccccc1
InChIInChI=1S/C14H10O/c1-2-6-11(7-3-1)10-14-12-8-4-5-9-13(12)15-14/h1-10H
InChIKeyXLBXBIXNIDOWJP-UHFFFAOYSA-N
MW194.23 g/mol
LogP3.58
Rot. Bonds1

About 8-benzylidene-7-oxabicyclo[4.2.0]octa-1,3,5-triene

8-benzylidene-7-oxabicyclo[4.2.0]octa-1,3,5-triene (PubChem CID 70426487) has the molecular formula C14H10O and a molecular weight of 194.23 g/mol. Its IUPAC name is 8-benzylidene-7-oxabicyclo[4.2.0]octa-1,3,5-triene.

Molecular Properties

Compound Name8-benzylidene-7-oxabicyclo[4.2.0]octa-1,3,5-triene
PubChem CID70426487
Molecular FormulaC14H10O
Molecular Weight194.23 g/mol
Exact Mass194.07
IUPAC Name8-benzylidene-7-oxabicyclo[4.2.0]octa-1,3,5-triene
SMILESC(=C1Oc2ccccc21)c1ccccc1
InChIInChI=1S/C14H10O/c1-2-6-11(7-3-1)10-14-12-8-4-5-9-13(12)15-14/h1-10H
InChIKeyXLBXBIXNIDOWJP-UHFFFAOYSA-N
XLogP3.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 71400052
(2E)-2-[(4-aminophenyl)methylidene]-1-benzofuran-3-one
CID 177443194
(2E)-2-[(4-chlorophenyl)methylidene]-1-benzofuran-3-one
CID 24762442
(2E)-2-[(3-chlorophenyl)methylidene]-1-benzofuran-3-one
CID 127256784
(3Z)-3-benzylidene-N-tert-butyl-2-benzofuran-1-imine
CID 71507928
2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one
CID 619835
(2Z)-2-benzylidenebenzo[g][1,4]benzodioxin-3-one
CID 102402209
3-benzylidene-1-benzofuran
CID 72960863
14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 139199451
henicosa-1,3,5,7,9,11,13,15,17,19-decayne;molecular hydrogen;molecular oxygen;(2Z)-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one
CID 159397250
3-benzylidene-5-chloro-2-benzofuran-1-one
CID 156772309
2-hydroxy-5-[(E)-(3-oxo-1-benzofuran-2-ylidene)methyl]benzoic acid
CID 6447057

Frequently Asked Questions

What is the IUPAC name of 8-benzylidene-7-oxabicyclo[4.2.0]octa-1,3,5-triene?
The IUPAC name of 8-benzylidene-7-oxabicyclo[4.2.0]octa-1,3,5-triene (CID 70426487) is 8-benzylidene-7-oxabicyclo[4.2.0]octa-1,3,5-triene.
What is the SMILES notation for 8-benzylidene-7-oxabicyclo[4.2.0]octa-1,3,5-triene?
The canonical SMILES for 8-benzylidene-7-oxabicyclo[4.2.0]octa-1,3,5-triene is C(=C1Oc2ccccc21)c1ccccc1.
What is the InChIKey of 8-benzylidene-7-oxabicyclo[4.2.0]octa-1,3,5-triene?
The InChIKey is XLBXBIXNIDOWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O/c1-2-6-11(7-3-1)10-14-12-8-4-5-9-13(12)15-14/h1-10H.
What are the key properties of 8-benzylidene-7-oxabicyclo[4.2.0]octa-1,3,5-triene?
8-benzylidene-7-oxabicyclo[4.2.0]octa-1,3,5-triene has a molecular weight of 194.23 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzylidene-7-oxabicyclo[4.2.0]octa-1,3,5-triene is sourced from PubChem (CID 70426487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).