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

C20H18O4 — CID 3114214

IUPAC3-[(4-ethoxyphenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one
SMILESCCOc1ccc(C=C2C=C(c3ccc(OC)cc3)OC2=O)cc1
InChIInChI=1S/C20H18O4/c1-3-23-18-8-4-14(5-9-18)12-16-13-19(24-20(16)21)15-6-10-17(22-2)11-7-15/h4-13H,3H2,1-2H3
InChIKeyGJWCPASCXDMSNQ-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.08
Rot. Bonds5

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

3-[(4-ethoxyphenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one (PubChem CID 3114214) has the molecular formula C20H18O4 and a molecular weight of 322.36 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one
PubChem CID3114214
Molecular FormulaC20H18O4
Molecular Weight322.36 g/mol
Exact Mass322.12
IUPAC Name3-[(4-ethoxyphenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one
SMILESCCOc1ccc(C=C2C=C(c3ccc(OC)cc3)OC2=O)cc1
InChIInChI=1S/C20H18O4/c1-3-23-18-8-4-14(5-9-18)12-16-13-19(24-20(16)21)15-6-10-17(22-2)11-7-15/h4-13H,3H2,1-2H3
InChIKeyGJWCPASCXDMSNQ-UHFFFAOYSA-N
XLogP4.08
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.08
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

5-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]furan-2-one
CID 3120316
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-phenoxyphenyl)furan-2-one
CID 3123621
5-(4-methoxyphenyl)-3-(pyridin-4-ylmethylidene)furan-2-one
CID 795137
3-[(4-methoxyphenyl)methylidene]-5-(4-propan-2-ylphenyl)furan-2-one
CID 809070
(3E)-5-(2,5-dimethoxyphenyl)-3-[(4-ethoxyphenyl)methylidene]furan-2-one
CID 2256976
[4-[(E)-[5-(4-methoxyphenyl)-2-oxofuran-3-ylidene]methyl]phenyl] acetate
CID 878185
[2-ethoxy-4-[(E)-[5-(4-methoxyphenyl)-2-oxofuran-3-ylidene]methyl]phenyl] acetate
CID 1362858
3-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one
CID 3127564
(3Z)-3-[(4-butoxyphenyl)methylidene]-5-phenylfuran-2-one
CID 2277451
(3E)-3-[(3-methoxy-4-methylphenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one
CID 750855

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one?
The IUPAC name of 3-[(4-ethoxyphenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one (CID 3114214) is 3-[(4-ethoxyphenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one.
What is the SMILES notation for 3-[(4-ethoxyphenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one?
The canonical SMILES for 3-[(4-ethoxyphenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one is CCOc1ccc(C=C2C=C(c3ccc(OC)cc3)OC2=O)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one?
The InChIKey is GJWCPASCXDMSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O4/c1-3-23-18-8-4-14(5-9-18)12-16-13-19(24-20(16)21)15-6-10-17(22-2)11-7-15/h4-13H,3H2,1-2H3.
What are the key properties of 3-[(4-ethoxyphenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one?
3-[(4-ethoxyphenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one has a molecular weight of 322.36 g/mol, XLogP of 4.08, 5 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-methoxyphenyl)furan-2-one is sourced from PubChem (CID 3114214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).