3-[(4-ethoxyphenyl)methylidene]-6-methoxychromen-4-one

C19H18O4 — CID 74618182

IUPAC3-[(4-ethoxyphenyl)methylidene]-6-methoxychromen-4-one
SMILESCCOc1ccc(C=C2COc3ccc(OC)cc3C2=O)cc1
InChIInChI=1S/C19H18O4/c1-3-22-15-6-4-13(5-7-15)10-14-12-23-18-9-8-16(21-2)11-17(18)19(14)20/h4-11H,3,12H2,1-2H3
InChIKeyKAEVUEMQPCLITP-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.75
Rot. Bonds4

About 3-[(4-ethoxyphenyl)methylidene]-6-methoxychromen-4-one

3-[(4-ethoxyphenyl)methylidene]-6-methoxychromen-4-one (PubChem CID 74618182) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)methylidene]-6-methoxychromen-4-one.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)methylidene]-6-methoxychromen-4-one
PubChem CID74618182
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name3-[(4-ethoxyphenyl)methylidene]-6-methoxychromen-4-one
SMILESCCOc1ccc(C=C2COc3ccc(OC)cc3C2=O)cc1
InChIInChI=1S/C19H18O4/c1-3-22-15-6-4-13(5-7-15)10-14-12-23-18-9-8-16(21-2)11-17(18)19(14)20/h4-11H,3,12H2,1-2H3
InChIKeyKAEVUEMQPCLITP-UHFFFAOYSA-N
XLogP3.75
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.75
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 3-[(4-ethoxyphenyl)methylidene]-6-methoxychromen-4-one?
The IUPAC name of 3-[(4-ethoxyphenyl)methylidene]-6-methoxychromen-4-one (CID 74618182) is 3-[(4-ethoxyphenyl)methylidene]-6-methoxychromen-4-one.
What is the SMILES notation for 3-[(4-ethoxyphenyl)methylidene]-6-methoxychromen-4-one?
The canonical SMILES for 3-[(4-ethoxyphenyl)methylidene]-6-methoxychromen-4-one is CCOc1ccc(C=C2COc3ccc(OC)cc3C2=O)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)methylidene]-6-methoxychromen-4-one?
The InChIKey is KAEVUEMQPCLITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4/c1-3-22-15-6-4-13(5-7-15)10-14-12-23-18-9-8-16(21-2)11-17(18)19(14)20/h4-11H,3,12H2,1-2H3.
What are the key properties of 3-[(4-ethoxyphenyl)methylidene]-6-methoxychromen-4-one?
3-[(4-ethoxyphenyl)methylidene]-6-methoxychromen-4-one has a molecular weight of 310.35 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)methylidene]-6-methoxychromen-4-one is sourced from PubChem (CID 74618182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).