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

C24H18O3 — CID 3664986

IUPAC5-phenyl-3-[(4-phenylmethoxyphenyl)methylidene]furan-2-one
SMILESO=C1OC(c2ccccc2)=CC1=Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H18O3/c25-24-21(16-23(27-24)20-9-5-2-6-10-20)15-18-11-13-22(14-12-18)26-17-19-7-3-1-4-8-19/h1-16H,17H2
InChIKeyZIETZYLASVFRBX-UHFFFAOYSA-N
MW354.41 g/mol
LogP5.25
Rot. Bonds5

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

5-phenyl-3-[(4-phenylmethoxyphenyl)methylidene]furan-2-one (PubChem CID 3664986) has the molecular formula C24H18O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 5-phenyl-3-[(4-phenylmethoxyphenyl)methylidene]furan-2-one.

Molecular Properties

Compound Name5-phenyl-3-[(4-phenylmethoxyphenyl)methylidene]furan-2-one
PubChem CID3664986
Molecular FormulaC24H18O3
Molecular Weight354.41 g/mol
Exact Mass354.13
IUPAC Name5-phenyl-3-[(4-phenylmethoxyphenyl)methylidene]furan-2-one
SMILESO=C1OC(c2ccccc2)=CC1=Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H18O3/c25-24-21(16-23(27-24)20-9-5-2-6-10-20)15-18-11-13-22(14-12-18)26-17-19-7-3-1-4-8-19/h1-16H,17H2
InChIKeyZIETZYLASVFRBX-UHFFFAOYSA-N
XLogP5.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.41
LogP ≤ 55.25
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

5-(4-fluorophenyl)-3-[(4-phenylmethoxyphenyl)methylidene]furan-2-one
CID 5140371
(3E)-5-(3,4-dimethylphenyl)-3-[(4-phenylmethoxyphenyl)methylidene]furan-2-one
CID 126062019
3-[(4-ethoxyphenyl)methylidene]-5-phenylfuran-2-one
CID 3120319
(3E)-3-[(4-ethoxyphenyl)methylidene]-5-phenylfuran-2-one
CID 785278
(3Z)-3-[(4-butoxyphenyl)methylidene]-5-phenylfuran-2-one
CID 2277451
(3Z)-3-[[4-[(Z)-(2-oxo-5-phenylfuran-3-ylidene)methyl]phenyl]methylidene]-5-phenylfuran-2-one
CID 11984182
3-[(4-ethoxyphenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one
CID 3123621
3-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one
CID 3127564
(3E)-3-[(4-fluorophenyl)methylidene]-5-phenylfuran-2-one
CID 5394659
3-[(4-ethoxyphenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one
CID 3114214
5-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]furan-2-one
CID 3120316
(3Z)-5-(4-fluorophenyl)-3-[(2-phenylmethoxyphenyl)methylidene]furan-2-one
CID 45375711

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-[(4-phenylmethoxyphenyl)methylidene]furan-2-one?
The IUPAC name of 5-phenyl-3-[(4-phenylmethoxyphenyl)methylidene]furan-2-one (CID 3664986) is 5-phenyl-3-[(4-phenylmethoxyphenyl)methylidene]furan-2-one.
What is the SMILES notation for 5-phenyl-3-[(4-phenylmethoxyphenyl)methylidene]furan-2-one?
The canonical SMILES for 5-phenyl-3-[(4-phenylmethoxyphenyl)methylidene]furan-2-one is O=C1OC(c2ccccc2)=CC1=Cc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 5-phenyl-3-[(4-phenylmethoxyphenyl)methylidene]furan-2-one?
The InChIKey is ZIETZYLASVFRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O3/c25-24-21(16-23(27-24)20-9-5-2-6-10-20)15-18-11-13-22(14-12-18)26-17-19-7-3-1-4-8-19/h1-16H,17H2.
What are the key properties of 5-phenyl-3-[(4-phenylmethoxyphenyl)methylidene]furan-2-one?
5-phenyl-3-[(4-phenylmethoxyphenyl)methylidene]furan-2-one has a molecular weight of 354.41 g/mol, XLogP of 5.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-[(4-phenylmethoxyphenyl)methylidene]furan-2-one is sourced from PubChem (CID 3664986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).