3-[(4-ethoxyphenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one

C25H20O4 — CID 3123621

IUPAC3-[(4-ethoxyphenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one
SMILESCCOc1ccc(C=C2C=C(c3ccc(Oc4ccccc4)cc3)OC2=O)cc1
InChIInChI=1S/C25H20O4/c1-2-27-21-12-8-18(9-13-21)16-20-17-24(29-25(20)26)19-10-14-23(15-11-19)28-22-6-4-3-5-7-22/h3-17H,2H2,1H3
InChIKeyGGMMAPNMQRYYOA-UHFFFAOYSA-N
MW384.43 g/mol
LogP5.86
Rot. Bonds6

About 3-[(4-ethoxyphenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one

3-[(4-ethoxyphenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one (PubChem CID 3123621) has the molecular formula C25H20O4 and a molecular weight of 384.43 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one
PubChem CID3123621
Molecular FormulaC25H20O4
Molecular Weight384.43 g/mol
Exact Mass384.14
IUPAC Name3-[(4-ethoxyphenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one
SMILESCCOc1ccc(C=C2C=C(c3ccc(Oc4ccccc4)cc3)OC2=O)cc1
InChIInChI=1S/C25H20O4/c1-2-27-21-12-8-18(9-13-21)16-20-17-24(29-25(20)26)19-10-14-23(15-11-19)28-22-6-4-3-5-7-22/h3-17H,2H2,1H3
InChIKeyGGMMAPNMQRYYOA-UHFFFAOYSA-N
XLogP5.86
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.43
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

3-[(4-ethoxyphenyl)methylidene]-5-phenylfuran-2-one
CID 3120319
(3E)-3-[(4-ethoxyphenyl)methylidene]-5-phenylfuran-2-one
CID 785278
3-[(4-ethoxyphenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one
CID 3114214
(3Z)-3-[(4-butoxyphenyl)methylidene]-5-phenylfuran-2-one
CID 2277451
(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one
CID 1111705
5-phenyl-3-[(4-phenylmethoxyphenyl)methylidene]furan-2-one
CID 3664986
5-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]furan-2-one
CID 3120316
3-[(3-methoxy-4-methylphenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one
CID 3123618
(3Z)-3-[[4-[(Z)-(2-oxo-5-phenylfuran-3-ylidene)methyl]phenyl]methylidene]-5-phenylfuran-2-one
CID 11984182
5-(4-fluorophenyl)-3-[(4-phenylmethoxyphenyl)methylidene]furan-2-one
CID 5140371
(3E)-3-[(3-phenoxyphenyl)methylidene]-5-phenylfuran-2-one
CID 15483513
(3E)-5-(3,4-dimethylphenyl)-3-[(4-phenylmethoxyphenyl)methylidene]furan-2-one
CID 126062019

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one?
The IUPAC name of 3-[(4-ethoxyphenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one (CID 3123621) is 3-[(4-ethoxyphenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one.
What is the SMILES notation for 3-[(4-ethoxyphenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one?
The canonical SMILES for 3-[(4-ethoxyphenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one is CCOc1ccc(C=C2C=C(c3ccc(Oc4ccccc4)cc3)OC2=O)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one?
The InChIKey is GGMMAPNMQRYYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20O4/c1-2-27-21-12-8-18(9-13-21)16-20-17-24(29-25(20)26)19-10-14-23(15-11-19)28-22-6-4-3-5-7-22/h3-17H,2H2,1H3.
What are the key properties of 3-[(4-ethoxyphenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one?
3-[(4-ethoxyphenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one has a molecular weight of 384.43 g/mol, XLogP of 5.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one is sourced from PubChem (CID 3123621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).