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

C19H16O4 — CID 3120316

IUPAC5-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]furan-2-one
SMILESCOc1ccc(C=C2C=C(c3ccc(OC)cc3)OC2=O)cc1
InChIInChI=1S/C19H16O4/c1-21-16-7-3-13(4-8-16)11-15-12-18(23-19(15)20)14-5-9-17(22-2)10-6-14/h3-12H,1-2H3
InChIKeySURBMPGILSMHKG-UHFFFAOYSA-N
MW308.33 g/mol
LogP3.69
Rot. Bonds4

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

5-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]furan-2-one (PubChem CID 3120316) has the molecular formula C19H16O4 and a molecular weight of 308.33 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]furan-2-one.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]furan-2-one
PubChem CID3120316
Molecular FormulaC19H16O4
Molecular Weight308.33 g/mol
Exact Mass308.10
IUPAC Name5-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]furan-2-one
SMILESCOc1ccc(C=C2C=C(c3ccc(OC)cc3)OC2=O)cc1
InChIInChI=1S/C19H16O4/c1-21-16-7-3-13(4-8-16)11-15-12-18(23-19(15)20)14-5-9-17(22-2)10-6-14/h3-12H,1-2H3
InChIKeySURBMPGILSMHKG-UHFFFAOYSA-N
XLogP3.69
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 53.69
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-(pyridin-4-ylmethylidene)furan-2-one
CID 795137
3-[(4-ethoxyphenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one
CID 3114214
3-[(4-methoxyphenyl)methylidene]-5-(4-propan-2-ylphenyl)furan-2-one
CID 809070
[4-[(E)-[5-(4-methoxyphenyl)-2-oxofuran-3-ylidene]methyl]phenyl] acetate
CID 878185
(3E)-3-[(3-methoxy-4-methylphenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one
CID 750855
(3E)-3-[(3,5-dibromo-4-methoxyphenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one
CID 96843329
(3E)-5-(4-methoxyphenyl)-3-[(5-methylfuran-2-yl)methylidene]furan-2-one
CID 750908
(3E)-3-[(2-fluorophenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one
CID 20831470
(3Z)-3-[[4-[(Z)-(2-oxo-5-phenylfuran-3-ylidene)methyl]phenyl]methylidene]-5-phenylfuran-2-one
CID 11984182
3-[(4-ethoxyphenyl)methylidene]-5-phenylfuran-2-one
CID 3120319
(3E)-3-[(4-ethoxyphenyl)methylidene]-5-phenylfuran-2-one
CID 785278
(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one
CID 1111705

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]furan-2-one?
The IUPAC name of 5-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]furan-2-one (CID 3120316) is 5-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]furan-2-one.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]furan-2-one?
The canonical SMILES for 5-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]furan-2-one is COc1ccc(C=C2C=C(c3ccc(OC)cc3)OC2=O)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]furan-2-one?
The InChIKey is SURBMPGILSMHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O4/c1-21-16-7-3-13(4-8-16)11-15-12-18(23-19(15)20)14-5-9-17(22-2)10-6-14/h3-12H,1-2H3.
What are the key properties of 5-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]furan-2-one?
5-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]furan-2-one has a molecular weight of 308.33 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]furan-2-one is sourced from PubChem (CID 3120316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).