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

C19H18O4 — CID 31762948

IUPAC(3E)-3-[(4-ethoxyphenyl)methylidene]-6-methoxychromen-4-one
SMILESCCOc1ccc(/C=C2\COc3ccc(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/b14-10+
InChIKeyKAEVUEMQPCLITP-GXDHUFHOSA-N
MW310.35 g/mol
LogP3.75
Rot. Bonds4

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

(3E)-3-[(4-ethoxyphenyl)methylidene]-6-methoxychromen-4-one (PubChem CID 31762948) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is (3E)-3-[(4-ethoxyphenyl)methylidene]-6-methoxychromen-4-one.

Molecular Properties

Compound Name(3E)-3-[(4-ethoxyphenyl)methylidene]-6-methoxychromen-4-one
PubChem CID31762948
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name(3E)-3-[(4-ethoxyphenyl)methylidene]-6-methoxychromen-4-one
SMILESCCOc1ccc(/C=C2\COc3ccc(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/b14-10+
InChIKeyKAEVUEMQPCLITP-GXDHUFHOSA-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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Related Compounds

3-[(4-ethoxyphenyl)methylidene]-6-methoxychromen-4-one
CID 74618182
(3E)-6-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one
CID 6449188
(3E)-6-methoxy-3-[(4-methylsulfanylphenyl)methylidene]chromen-4-one
CID 24662432
(3Z)-7-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one
CID 6444482
(3E)-3-[(3-hydroxy-4-methoxyphenyl)methylidene]-6-methoxychromen-4-one
CID 24662437
(3E)-6-methoxy-3-(pyridin-2-ylmethylidene)chromen-4-one
CID 67592232
6-methoxy-3-(pyridin-2-ylmethylidene)chromen-4-one
CID 54513689
(3E)-7-ethoxy-3-[(3-hydroxy-4-methoxyphenyl)methylidene]chromen-4-one
CID 24987392
(3E)-6-methoxy-3-[(1-phenylpyrazol-4-yl)methylidene]chromen-4-one
CID 31765869
(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-7-methoxychromen-4-one
CID 6857791
(3E)-7-ethoxy-3-[[4-(3-piperidin-1-ylpropoxy)phenyl]methylidene]chromen-4-one;hydrochloride
CID 118734143
(3Z)-3-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-6-methoxychromen-4-one
CID 47021523

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(4-ethoxyphenyl)methylidene]-6-methoxychromen-4-one?
The IUPAC name of (3E)-3-[(4-ethoxyphenyl)methylidene]-6-methoxychromen-4-one (CID 31762948) is (3E)-3-[(4-ethoxyphenyl)methylidene]-6-methoxychromen-4-one.
What is the SMILES notation for (3E)-3-[(4-ethoxyphenyl)methylidene]-6-methoxychromen-4-one?
The canonical SMILES for (3E)-3-[(4-ethoxyphenyl)methylidene]-6-methoxychromen-4-one is CCOc1ccc(/C=C2\COc3ccc(OC)cc3C2=O)cc1.
What is the InChIKey of (3E)-3-[(4-ethoxyphenyl)methylidene]-6-methoxychromen-4-one?
The InChIKey is KAEVUEMQPCLITP-GXDHUFHOSA-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/b14-10+.
What are the key properties of (3E)-3-[(4-ethoxyphenyl)methylidene]-6-methoxychromen-4-one?
(3E)-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 (3E)-3-[(4-ethoxyphenyl)methylidene]-6-methoxychromen-4-one is sourced from PubChem (CID 31762948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).