(3Z)-3-[(2,4-dimethoxyphenyl)methylidene]-5-phenylfuran-2-one

C19H16O4 — CID 754604

IUPAC(3Z)-3-[(2,4-dimethoxyphenyl)methylidene]-5-phenylfuran-2-one
SMILESCOc1ccc(/C=C2/C=C(c3ccccc3)OC2=O)c(OC)c1
InChIInChI=1S/C19H16O4/c1-21-16-9-8-14(17(12-16)22-2)10-15-11-18(23-19(15)20)13-6-4-3-5-7-13/h3-12H,1-2H3/b15-10-
InChIKeyCAWORDKXNAEUOJ-GDNBJRDFSA-N
MW308.33 g/mol
LogP3.69
Rot. Bonds4

About (3Z)-3-[(2,4-dimethoxyphenyl)methylidene]-5-phenylfuran-2-one

(3Z)-3-[(2,4-dimethoxyphenyl)methylidene]-5-phenylfuran-2-one (PubChem CID 754604) has the molecular formula C19H16O4 and a molecular weight of 308.33 g/mol. Its IUPAC name is (3Z)-3-[(2,4-dimethoxyphenyl)methylidene]-5-phenylfuran-2-one.

Molecular Properties

Compound Name(3Z)-3-[(2,4-dimethoxyphenyl)methylidene]-5-phenylfuran-2-one
PubChem CID754604
Molecular FormulaC19H16O4
Molecular Weight308.33 g/mol
Exact Mass308.10
IUPAC Name(3Z)-3-[(2,4-dimethoxyphenyl)methylidene]-5-phenylfuran-2-one
SMILESCOc1ccc(/C=C2/C=C(c3ccccc3)OC2=O)c(OC)c1
InChIInChI=1S/C19H16O4/c1-21-16-9-8-14(17(12-16)22-2)10-15-11-18(23-19(15)20)13-6-4-3-5-7-13/h3-12H,1-2H3/b15-10-
InChIKeyCAWORDKXNAEUOJ-GDNBJRDFSA-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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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(2,4-dimethoxyphenyl)methylidene]-5-phenylfuran-2-one?
The IUPAC name of (3Z)-3-[(2,4-dimethoxyphenyl)methylidene]-5-phenylfuran-2-one (CID 754604) is (3Z)-3-[(2,4-dimethoxyphenyl)methylidene]-5-phenylfuran-2-one.
What is the SMILES notation for (3Z)-3-[(2,4-dimethoxyphenyl)methylidene]-5-phenylfuran-2-one?
The canonical SMILES for (3Z)-3-[(2,4-dimethoxyphenyl)methylidene]-5-phenylfuran-2-one is COc1ccc(/C=C2/C=C(c3ccccc3)OC2=O)c(OC)c1.
What is the InChIKey of (3Z)-3-[(2,4-dimethoxyphenyl)methylidene]-5-phenylfuran-2-one?
The InChIKey is CAWORDKXNAEUOJ-GDNBJRDFSA-N. The full InChI is InChI=1S/C19H16O4/c1-21-16-9-8-14(17(12-16)22-2)10-15-11-18(23-19(15)20)13-6-4-3-5-7-13/h3-12H,1-2H3/b15-10-.
What are the key properties of (3Z)-3-[(2,4-dimethoxyphenyl)methylidene]-5-phenylfuran-2-one?
(3Z)-3-[(2,4-dimethoxyphenyl)methylidene]-5-phenylfuran-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 (3Z)-3-[(2,4-dimethoxyphenyl)methylidene]-5-phenylfuran-2-one is sourced from PubChem (CID 754604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).