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

C27H24O5 — CID 3127564

IUPAC3-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one
SMILESCCOc1cc(C=C2C=C(c3ccc(OC)cc3)OC2=O)ccc1OCc1ccccc1
InChIInChI=1S/C27H24O5/c1-3-30-26-16-20(9-14-24(26)31-18-19-7-5-4-6-8-19)15-22-17-25(32-27(22)28)21-10-12-23(29-2)13-11-21/h4-17H,3,18H2,1-2H3
InChIKeyLZUYKWCTOXMURF-UHFFFAOYSA-N
MW428.48 g/mol
LogP5.65
Rot. Bonds8

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

3-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one (PubChem CID 3127564) has the molecular formula C27H24O5 and a molecular weight of 428.48 g/mol. Its IUPAC name is 3-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one.

Molecular Properties

Compound Name3-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one
PubChem CID3127564
Molecular FormulaC27H24O5
Molecular Weight428.48 g/mol
Exact Mass428.16
IUPAC Name3-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one
SMILESCCOc1cc(C=C2C=C(c3ccc(OC)cc3)OC2=O)ccc1OCc1ccccc1
InChIInChI=1S/C27H24O5/c1-3-30-26-16-20(9-14-24(26)31-18-19-7-5-4-6-8-19)15-22-17-25(32-27(22)28)21-10-12-23(29-2)13-11-21/h4-17H,3,18H2,1-2H3
InChIKeyLZUYKWCTOXMURF-UHFFFAOYSA-N
XLogP5.65
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.48
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

[2-ethoxy-4-[(E)-[5-(4-methoxyphenyl)-2-oxofuran-3-ylidene]methyl]phenyl] acetate
CID 1362858
3-[(4-ethoxyphenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one
CID 3114214
5-phenyl-3-[(4-phenylmethoxyphenyl)methylidene]furan-2-one
CID 3664986
(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one
CID 1111705
5-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]furan-2-one
CID 3120316
(3E)-3-[(3-methoxy-4-methylphenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one
CID 750855
(3E)-3-[(4-ethoxyphenyl)methylidene]-5-phenylfuran-2-one
CID 785278
5-(4-fluorophenyl)-3-[(4-phenylmethoxyphenyl)methylidene]furan-2-one
CID 5140371
2-[4-[(E)-[5-(4-chlorophenyl)-2-oxofuran-3-ylidene]methyl]-2-ethoxyphenoxy]acetonitrile
CID 2717862
3-[(4-ethoxyphenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one
CID 3123621
(3E)-5-(3,4-dimethylphenyl)-3-[(4-phenylmethoxyphenyl)methylidene]furan-2-one
CID 126062019
(3E)-3-[(2-phenylmethoxynaphthalen-1-yl)methylidene]-5-(4-phenylphenyl)furan-2-one
CID 126057645

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one?
The IUPAC name of 3-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one (CID 3127564) is 3-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one.
What is the SMILES notation for 3-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one?
The canonical SMILES for 3-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one is CCOc1cc(C=C2C=C(c3ccc(OC)cc3)OC2=O)ccc1OCc1ccccc1.
What is the InChIKey of 3-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one?
The InChIKey is LZUYKWCTOXMURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24O5/c1-3-30-26-16-20(9-14-24(26)31-18-19-7-5-4-6-8-19)15-22-17-25(32-27(22)28)21-10-12-23(29-2)13-11-21/h4-17H,3,18H2,1-2H3.
What are the key properties of 3-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one?
3-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one has a molecular weight of 428.48 g/mol, XLogP of 5.65, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one is sourced from PubChem (CID 3127564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).