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

C25H20O4 — CID 3123618

IUPAC3-[(3-methoxy-4-methylphenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one
SMILESCOc1cc(C=C2C=C(c3ccc(Oc4ccccc4)cc3)OC2=O)ccc1C
InChIInChI=1S/C25H20O4/c1-17-8-9-18(15-23(17)27-2)14-20-16-24(29-25(20)26)19-10-12-22(13-11-19)28-21-6-4-3-5-7-21/h3-16H,1-2H3
InChIKeyAQJRCOJNXSTXBD-UHFFFAOYSA-N
MW384.43 g/mol
LogP5.78
Rot. Bonds5

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

3-[(3-methoxy-4-methylphenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one (PubChem CID 3123618) has the molecular formula C25H20O4 and a molecular weight of 384.43 g/mol. Its IUPAC name is 3-[(3-methoxy-4-methylphenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one.

Molecular Properties

Compound Name3-[(3-methoxy-4-methylphenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one
PubChem CID3123618
Molecular FormulaC25H20O4
Molecular Weight384.43 g/mol
Exact Mass384.14
IUPAC Name3-[(3-methoxy-4-methylphenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one
SMILESCOc1cc(C=C2C=C(c3ccc(Oc4ccccc4)cc3)OC2=O)ccc1C
InChIInChI=1S/C25H20O4/c1-17-8-9-18(15-23(17)27-2)14-20-16-24(29-25(20)26)19-10-12-22(13-11-19)28-21-6-4-3-5-7-21/h3-16H,1-2H3
InChIKeyAQJRCOJNXSTXBD-UHFFFAOYSA-N
XLogP5.78
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.43
LogP ≤ 55.78
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

(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one
CID 1111705
(3E)-3-[(3-methoxy-4-methylphenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one
CID 750855
(3Z)-5-(4-bromophenyl)-3-[(3-methoxy-4-methylphenyl)methylidene]furan-2-one
CID 2256990
[2-methoxy-4-[(E)-[2-oxo-5-(4-phenoxyphenyl)furan-3-ylidene]methyl]phenyl] acetate
CID 5277443
(3E)-5-(2,4-dimethoxyphenyl)-3-[(3-methoxy-4-methylphenyl)methylidene]furan-2-one
CID 1109958
3-[(3,4-dimethoxyphenyl)methylidene]-5-(3,4-dimethylphenyl)furan-2-one
CID 809096
(3E)-3-[(3-phenoxyphenyl)methylidene]-5-phenylfuran-2-one
CID 15483513
3-[(4-ethoxyphenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one
CID 3123621
5-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]furan-2-one
CID 3120316
(3Z)-5-(3,4-dimethylphenyl)-3-[(3,4,5-trimethoxyphenyl)methylidene]furan-2-one
CID 5441770
(3Z)-3-[(2,4-dimethoxyphenyl)methylidene]-5-phenylfuran-2-one
CID 754604
(3E)-3-[(4-chloro-3-nitrophenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one
CID 126059878

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxy-4-methylphenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one?
The IUPAC name of 3-[(3-methoxy-4-methylphenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one (CID 3123618) is 3-[(3-methoxy-4-methylphenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one.
What is the SMILES notation for 3-[(3-methoxy-4-methylphenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one?
The canonical SMILES for 3-[(3-methoxy-4-methylphenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one is COc1cc(C=C2C=C(c3ccc(Oc4ccccc4)cc3)OC2=O)ccc1C.
What is the InChIKey of 3-[(3-methoxy-4-methylphenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one?
The InChIKey is AQJRCOJNXSTXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20O4/c1-17-8-9-18(15-23(17)27-2)14-20-16-24(29-25(20)26)19-10-12-22(13-11-19)28-21-6-4-3-5-7-21/h3-16H,1-2H3.
What are the key properties of 3-[(3-methoxy-4-methylphenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one?
3-[(3-methoxy-4-methylphenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one has a molecular weight of 384.43 g/mol, XLogP of 5.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxy-4-methylphenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one is sourced from PubChem (CID 3123618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).