(3E)-3-[(2,4-dimethoxyphenyl)methylidene]-6-phenylchromen-4-one

C24H20O4 — CID 45029088

IUPAC(3E)-3-[(2,4-dimethoxyphenyl)methylidene]-6-phenylchromen-4-one
SMILESCOc1ccc(/C=C2\COc3ccc(-c4ccccc4)cc3C2=O)c(OC)c1
InChIInChI=1S/C24H20O4/c1-26-20-10-8-18(23(14-20)27-2)12-19-15-28-22-11-9-17(13-21(22)24(19)25)16-6-4-3-5-7-16/h3-14H,15H2,1-2H3/b19-12+
InChIKeyACZYQFMUDURSLR-XDHOZWIPSA-N
MW372.42 g/mol
LogP5.03
Rot. Bonds4

About (3E)-3-[(2,4-dimethoxyphenyl)methylidene]-6-phenylchromen-4-one

(3E)-3-[(2,4-dimethoxyphenyl)methylidene]-6-phenylchromen-4-one (PubChem CID 45029088) has the molecular formula C24H20O4 and a molecular weight of 372.42 g/mol. Its IUPAC name is (3E)-3-[(2,4-dimethoxyphenyl)methylidene]-6-phenylchromen-4-one.

Molecular Properties

Compound Name(3E)-3-[(2,4-dimethoxyphenyl)methylidene]-6-phenylchromen-4-one
PubChem CID45029088
Molecular FormulaC24H20O4
Molecular Weight372.42 g/mol
Exact Mass372.14
IUPAC Name(3E)-3-[(2,4-dimethoxyphenyl)methylidene]-6-phenylchromen-4-one
SMILESCOc1ccc(/C=C2\COc3ccc(-c4ccccc4)cc3C2=O)c(OC)c1
InChIInChI=1S/C24H20O4/c1-26-20-10-8-18(23(14-20)27-2)12-19-15-28-22-11-9-17(13-21(22)24(19)25)16-6-4-3-5-7-16/h3-14H,15H2,1-2H3/b19-12+
InChIKeyACZYQFMUDURSLR-XDHOZWIPSA-N
XLogP5.03
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.42
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(2,4-dimethoxyphenyl)methylidene]-6-phenylchromen-4-one?
The IUPAC name of (3E)-3-[(2,4-dimethoxyphenyl)methylidene]-6-phenylchromen-4-one (CID 45029088) is (3E)-3-[(2,4-dimethoxyphenyl)methylidene]-6-phenylchromen-4-one.
What is the SMILES notation for (3E)-3-[(2,4-dimethoxyphenyl)methylidene]-6-phenylchromen-4-one?
The canonical SMILES for (3E)-3-[(2,4-dimethoxyphenyl)methylidene]-6-phenylchromen-4-one is COc1ccc(/C=C2\COc3ccc(-c4ccccc4)cc3C2=O)c(OC)c1.
What is the InChIKey of (3E)-3-[(2,4-dimethoxyphenyl)methylidene]-6-phenylchromen-4-one?
The InChIKey is ACZYQFMUDURSLR-XDHOZWIPSA-N. The full InChI is InChI=1S/C24H20O4/c1-26-20-10-8-18(23(14-20)27-2)12-19-15-28-22-11-9-17(13-21(22)24(19)25)16-6-4-3-5-7-16/h3-14H,15H2,1-2H3/b19-12+.
What are the key properties of (3E)-3-[(2,4-dimethoxyphenyl)methylidene]-6-phenylchromen-4-one?
(3E)-3-[(2,4-dimethoxyphenyl)methylidene]-6-phenylchromen-4-one has a molecular weight of 372.42 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(2,4-dimethoxyphenyl)methylidene]-6-phenylchromen-4-one is sourced from PubChem (CID 45029088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).