6-[(2E)-2-methoxyimino-2-(4-methoxyphenyl)ethoxy]-2-phenylchromen-4-one

C25H21NO5 — CID 44563719

IUPAC6-[(2E)-2-methoxyimino-2-(4-methoxyphenyl)ethoxy]-2-phenylchromen-4-one
SMILESCO/N=C(/COc1ccc2oc(-c3ccccc3)cc(=O)c2c1)c1ccc(OC)cc1
InChIInChI=1S/C25H21NO5/c1-28-19-10-8-17(9-11-19)22(26-29-2)16-30-20-12-13-24-21(14-20)23(27)15-25(31-24)18-6-4-3-5-7-18/h3-15H,16H2,1-2H3/b26-22-
InChIKeyXJSIWMNINPPMHK-ROMGYVFFSA-N
MW415.45 g/mol
LogP4.90
Rot. Bonds7

About 6-[(2E)-2-methoxyimino-2-(4-methoxyphenyl)ethoxy]-2-phenylchromen-4-one

6-[(2E)-2-methoxyimino-2-(4-methoxyphenyl)ethoxy]-2-phenylchromen-4-one (PubChem CID 44563719) has the molecular formula C25H21NO5 and a molecular weight of 415.45 g/mol. Its IUPAC name is 6-[(2E)-2-methoxyimino-2-(4-methoxyphenyl)ethoxy]-2-phenylchromen-4-one.

Molecular Properties

Compound Name6-[(2E)-2-methoxyimino-2-(4-methoxyphenyl)ethoxy]-2-phenylchromen-4-one
PubChem CID44563719
Molecular FormulaC25H21NO5
Molecular Weight415.45 g/mol
Exact Mass415.14
IUPAC Name6-[(2E)-2-methoxyimino-2-(4-methoxyphenyl)ethoxy]-2-phenylchromen-4-one
SMILESCO/N=C(/COc1ccc2oc(-c3ccccc3)cc(=O)c2c1)c1ccc(OC)cc1
InChIInChI=1S/C25H21NO5/c1-28-19-10-8-17(9-11-19)22(26-29-2)16-30-20-12-13-24-21(14-20)23(27)15-25(31-24)18-6-4-3-5-7-18/h3-15H,16H2,1-2H3/b26-22-
InChIKeyXJSIWMNINPPMHK-ROMGYVFFSA-N
XLogP4.90
TPSA70.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(2E)-2-methoxyimino-2-(4-methoxyphenyl)ethoxy]-2-phenylchromen-4-one?
The IUPAC name of 6-[(2E)-2-methoxyimino-2-(4-methoxyphenyl)ethoxy]-2-phenylchromen-4-one (CID 44563719) is 6-[(2E)-2-methoxyimino-2-(4-methoxyphenyl)ethoxy]-2-phenylchromen-4-one.
What is the SMILES notation for 6-[(2E)-2-methoxyimino-2-(4-methoxyphenyl)ethoxy]-2-phenylchromen-4-one?
The canonical SMILES for 6-[(2E)-2-methoxyimino-2-(4-methoxyphenyl)ethoxy]-2-phenylchromen-4-one is CO/N=C(/COc1ccc2oc(-c3ccccc3)cc(=O)c2c1)c1ccc(OC)cc1.
What is the InChIKey of 6-[(2E)-2-methoxyimino-2-(4-methoxyphenyl)ethoxy]-2-phenylchromen-4-one?
The InChIKey is XJSIWMNINPPMHK-ROMGYVFFSA-N. The full InChI is InChI=1S/C25H21NO5/c1-28-19-10-8-17(9-11-19)22(26-29-2)16-30-20-12-13-24-21(14-20)23(27)15-25(31-24)18-6-4-3-5-7-18/h3-15H,16H2,1-2H3/b26-22-.
What are the key properties of 6-[(2E)-2-methoxyimino-2-(4-methoxyphenyl)ethoxy]-2-phenylchromen-4-one?
6-[(2E)-2-methoxyimino-2-(4-methoxyphenyl)ethoxy]-2-phenylchromen-4-one has a molecular weight of 415.45 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2E)-2-methoxyimino-2-(4-methoxyphenyl)ethoxy]-2-phenylchromen-4-one is sourced from PubChem (CID 44563719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).