(3E)-3-[(3-phenoxyphenyl)methylidene]-5-phenylfuran-2-one

C23H16O3 — CID 15483513

IUPAC(3E)-3-[(3-phenoxyphenyl)methylidene]-5-phenylfuran-2-one
SMILESO=C1OC(c2ccccc2)=C/C1=C\c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C23H16O3/c24-23-19(16-22(26-23)18-9-3-1-4-10-18)14-17-8-7-13-21(15-17)25-20-11-5-2-6-12-20/h1-16H/b19-14+
InChIKeyJZIFPSCLIHYQIP-XMHGGMMESA-N
MW340.38 g/mol
LogP5.46
Rot. Bonds4

About (3E)-3-[(3-phenoxyphenyl)methylidene]-5-phenylfuran-2-one

(3E)-3-[(3-phenoxyphenyl)methylidene]-5-phenylfuran-2-one (PubChem CID 15483513) has the molecular formula C23H16O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is (3E)-3-[(3-phenoxyphenyl)methylidene]-5-phenylfuran-2-one.

Molecular Properties

Compound Name(3E)-3-[(3-phenoxyphenyl)methylidene]-5-phenylfuran-2-one
PubChem CID15483513
Molecular FormulaC23H16O3
Molecular Weight340.38 g/mol
Exact Mass340.11
IUPAC Name(3E)-3-[(3-phenoxyphenyl)methylidene]-5-phenylfuran-2-one
SMILESO=C1OC(c2ccccc2)=C/C1=C\c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C23H16O3/c24-23-19(16-22(26-23)18-9-3-1-4-10-18)14-17-8-7-13-21(15-17)25-20-11-5-2-6-12-20/h1-16H/b19-14+
InChIKeyJZIFPSCLIHYQIP-XMHGGMMESA-N
XLogP5.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.38
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one
CID 1111705
(3Z)-3-[[4-[(Z)-(2-oxo-5-phenylfuran-3-ylidene)methyl]phenyl]methylidene]-5-phenylfuran-2-one
CID 11984182
3-[(3-methoxy-4-methylphenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one
CID 3123618
(3E)-3-[(3-nitrophenyl)methylidene]-5-phenylfuran-2-one
CID 2253200
3-[(4-ethoxyphenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one
CID 3123621
[3-[(Z)-[5-(4-methylphenyl)-2-oxofuran-3-ylidene]methyl]phenyl] acetate
CID 2263953
(3E)-3-[(4-chloro-3-nitrophenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one
CID 126059878
[2-methoxy-4-[(E)-[2-oxo-5-(4-phenoxyphenyl)furan-3-ylidene]methyl]phenyl] acetate
CID 5277443
(3E)-3-[(4-fluorophenyl)methylidene]-5-phenylfuran-2-one
CID 5394659
(3Z)-5-(4-fluorophenyl)-3-[(3-hydroxyphenyl)methylidene]furan-2-one
CID 7316932
3-[(4-ethoxyphenyl)methylidene]-5-phenylfuran-2-one
CID 3120319
(3E)-3-[(4-ethoxyphenyl)methylidene]-5-phenylfuran-2-one
CID 785278

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(3-phenoxyphenyl)methylidene]-5-phenylfuran-2-one?
The IUPAC name of (3E)-3-[(3-phenoxyphenyl)methylidene]-5-phenylfuran-2-one (CID 15483513) is (3E)-3-[(3-phenoxyphenyl)methylidene]-5-phenylfuran-2-one.
What is the SMILES notation for (3E)-3-[(3-phenoxyphenyl)methylidene]-5-phenylfuran-2-one?
The canonical SMILES for (3E)-3-[(3-phenoxyphenyl)methylidene]-5-phenylfuran-2-one is O=C1OC(c2ccccc2)=C/C1=C\c1cccc(Oc2ccccc2)c1.
What is the InChIKey of (3E)-3-[(3-phenoxyphenyl)methylidene]-5-phenylfuran-2-one?
The InChIKey is JZIFPSCLIHYQIP-XMHGGMMESA-N. The full InChI is InChI=1S/C23H16O3/c24-23-19(16-22(26-23)18-9-3-1-4-10-18)14-17-8-7-13-21(15-17)25-20-11-5-2-6-12-20/h1-16H/b19-14+.
What are the key properties of (3E)-3-[(3-phenoxyphenyl)methylidene]-5-phenylfuran-2-one?
(3E)-3-[(3-phenoxyphenyl)methylidene]-5-phenylfuran-2-one has a molecular weight of 340.38 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(3-phenoxyphenyl)methylidene]-5-phenylfuran-2-one is sourced from PubChem (CID 15483513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).