(3E)-3-[(4-ethoxyphenyl)methylidene]-5-phenylfuran-2-one

C19H16O3 — CID 785278

IUPAC(3E)-3-[(4-ethoxyphenyl)methylidene]-5-phenylfuran-2-one
SMILESCCOc1ccc(/C=C2\C=C(c3ccccc3)OC2=O)cc1
InChIInChI=1S/C19H16O3/c1-2-21-17-10-8-14(9-11-17)12-16-13-18(22-19(16)20)15-6-4-3-5-7-15/h3-13H,2H2,1H3/b16-12+
InChIKeyLGEDSRZPVDSXBI-FOWTUZBSSA-N
MW292.33 g/mol
LogP4.07
Rot. Bonds4

About (3E)-3-[(4-ethoxyphenyl)methylidene]-5-phenylfuran-2-one

(3E)-3-[(4-ethoxyphenyl)methylidene]-5-phenylfuran-2-one (PubChem CID 785278) has the molecular formula C19H16O3 and a molecular weight of 292.33 g/mol. Its IUPAC name is (3E)-3-[(4-ethoxyphenyl)methylidene]-5-phenylfuran-2-one.

Molecular Properties

Compound Name(3E)-3-[(4-ethoxyphenyl)methylidene]-5-phenylfuran-2-one
PubChem CID785278
Molecular FormulaC19H16O3
Molecular Weight292.33 g/mol
Exact Mass292.11
IUPAC Name(3E)-3-[(4-ethoxyphenyl)methylidene]-5-phenylfuran-2-one
SMILESCCOc1ccc(/C=C2\C=C(c3ccccc3)OC2=O)cc1
InChIInChI=1S/C19H16O3/c1-2-21-17-10-8-14(9-11-17)12-16-13-18(22-19(16)20)15-6-4-3-5-7-15/h3-13H,2H2,1H3/b16-12+
InChIKeyLGEDSRZPVDSXBI-FOWTUZBSSA-N
XLogP4.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 54.07
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

3-[(4-ethoxyphenyl)methylidene]-5-phenylfuran-2-one
CID 3120319
3-[(4-ethoxyphenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one
CID 3123621
3-[(4-ethoxyphenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one
CID 3114214
(3Z)-3-[(4-butoxyphenyl)methylidene]-5-phenylfuran-2-one
CID 2277451
5-phenyl-3-[(4-phenylmethoxyphenyl)methylidene]furan-2-one
CID 3664986
(3Z)-3-[[4-[(Z)-(2-oxo-5-phenylfuran-3-ylidene)methyl]phenyl]methylidene]-5-phenylfuran-2-one
CID 11984182
5-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]furan-2-one
CID 3120316
5-(4-fluorophenyl)-3-[(4-phenylmethoxyphenyl)methylidene]furan-2-one
CID 5140371
(3E)-3-[(4-fluorophenyl)methylidene]-5-phenylfuran-2-one
CID 5394659
(3E)-5-(2,5-dimethoxyphenyl)-3-[(4-ethoxyphenyl)methylidene]furan-2-one
CID 2256976
3-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one
CID 3127564
(3E)-5-(3,4-dimethylphenyl)-3-[(4-phenylmethoxyphenyl)methylidene]furan-2-one
CID 126062019

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(4-ethoxyphenyl)methylidene]-5-phenylfuran-2-one?
The IUPAC name of (3E)-3-[(4-ethoxyphenyl)methylidene]-5-phenylfuran-2-one (CID 785278) is (3E)-3-[(4-ethoxyphenyl)methylidene]-5-phenylfuran-2-one.
What is the SMILES notation for (3E)-3-[(4-ethoxyphenyl)methylidene]-5-phenylfuran-2-one?
The canonical SMILES for (3E)-3-[(4-ethoxyphenyl)methylidene]-5-phenylfuran-2-one is CCOc1ccc(/C=C2\C=C(c3ccccc3)OC2=O)cc1.
What is the InChIKey of (3E)-3-[(4-ethoxyphenyl)methylidene]-5-phenylfuran-2-one?
The InChIKey is LGEDSRZPVDSXBI-FOWTUZBSSA-N. The full InChI is InChI=1S/C19H16O3/c1-2-21-17-10-8-14(9-11-17)12-16-13-18(22-19(16)20)15-6-4-3-5-7-15/h3-13H,2H2,1H3/b16-12+.
What are the key properties of (3E)-3-[(4-ethoxyphenyl)methylidene]-5-phenylfuran-2-one?
(3E)-3-[(4-ethoxyphenyl)methylidene]-5-phenylfuran-2-one has a molecular weight of 292.33 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(4-ethoxyphenyl)methylidene]-5-phenylfuran-2-one is sourced from PubChem (CID 785278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).