(2Z)-2-benzylidenebenzo[g][1,4]benzodioxin-3-one

C19H12O3 — CID 102402209

IUPAC(2Z)-2-benzylidenebenzo[g][1,4]benzodioxin-3-one
SMILESO=C1Oc2cc3ccccc3cc2O/C1=C\c1ccccc1
InChIInChI=1S/C19H12O3/c20-19-18(10-13-6-2-1-3-7-13)21-16-11-14-8-4-5-9-15(14)12-17(16)22-19/h1-12H/b18-10-
InChIKeyRRLAEFDCGSKSIQ-ZDLGFXPLSA-N
MW288.30 g/mol
LogP4.18
Rot. Bonds1

About (2Z)-2-benzylidenebenzo[g][1,4]benzodioxin-3-one

(2Z)-2-benzylidenebenzo[g][1,4]benzodioxin-3-one (PubChem CID 102402209) has the molecular formula C19H12O3 and a molecular weight of 288.30 g/mol. Its IUPAC name is (2Z)-2-benzylidenebenzo[g][1,4]benzodioxin-3-one.

Molecular Properties

Compound Name(2Z)-2-benzylidenebenzo[g][1,4]benzodioxin-3-one
PubChem CID102402209
Molecular FormulaC19H12O3
Molecular Weight288.30 g/mol
Exact Mass288.08
IUPAC Name(2Z)-2-benzylidenebenzo[g][1,4]benzodioxin-3-one
SMILESO=C1Oc2cc3ccccc3cc2O/C1=C\c1ccccc1
InChIInChI=1S/C19H12O3/c20-19-18(10-13-6-2-1-3-7-13)21-16-11-14-8-4-5-9-15(14)12-17(16)22-19/h1-12H/b18-10-
InChIKeyRRLAEFDCGSKSIQ-ZDLGFXPLSA-N
XLogP4.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

8-benzylidene-7-oxabicyclo[4.2.0]octa-1,3,5-triene
CID 70426487
(2Z)-2-benzylidene-6-methoxy-1-benzofuran-3-one
CID 642380
3-[[4-(N-phenylanilino)phenyl]methylidene]benzo[g]chromene-2,4-dione
CID 72639477
(2E)-6-amino-2-benzylidene-4H-1,4-benzoxazin-3-one
CID 28862933
(2E)-2-benzylidene-6-methyl-4H-1,4-benzoxazin-3-one
CID 124643521
(2Z)-2-benzylidene-5-chloro-4,6-dimethyl-1-benzofuran-3-one
CID 163322912
(2-benzylidene-3-oxo-1-benzofuran-6-yl) benzoate
CID 4272107
6,13-dibenzylidenepentacene
CID 142681968
2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one
CID 619835
3-benzylidene-5-chloro-2-benzofuran-1-one
CID 156772309
5-benzylidene-4-phenylfuran-2-one
CID 67301545
(4Z)-4-benzylidene-2-naphthalen-2-yl-1,3-oxazol-5-one
CID 9313248

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-benzylidenebenzo[g][1,4]benzodioxin-3-one?
The IUPAC name of (2Z)-2-benzylidenebenzo[g][1,4]benzodioxin-3-one (CID 102402209) is (2Z)-2-benzylidenebenzo[g][1,4]benzodioxin-3-one.
What is the SMILES notation for (2Z)-2-benzylidenebenzo[g][1,4]benzodioxin-3-one?
The canonical SMILES for (2Z)-2-benzylidenebenzo[g][1,4]benzodioxin-3-one is O=C1Oc2cc3ccccc3cc2O/C1=C\c1ccccc1.
What is the InChIKey of (2Z)-2-benzylidenebenzo[g][1,4]benzodioxin-3-one?
The InChIKey is RRLAEFDCGSKSIQ-ZDLGFXPLSA-N. The full InChI is InChI=1S/C19H12O3/c20-19-18(10-13-6-2-1-3-7-13)21-16-11-14-8-4-5-9-15(14)12-17(16)22-19/h1-12H/b18-10-.
What are the key properties of (2Z)-2-benzylidenebenzo[g][1,4]benzodioxin-3-one?
(2Z)-2-benzylidenebenzo[g][1,4]benzodioxin-3-one has a molecular weight of 288.30 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-benzylidenebenzo[g][1,4]benzodioxin-3-one is sourced from PubChem (CID 102402209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).