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

C24H19NO5 — CID 11611054

IUPAC6-[(2E)-2-hydroxyimino-2-(4-methoxyphenyl)ethoxy]-2-phenylchromen-4-one
SMILESCOc1ccc(/C(COc2ccc3oc(-c4ccccc4)cc(=O)c3c2)=N\O)cc1
InChIInChI=1S/C24H19NO5/c1-28-18-9-7-16(8-10-18)21(25-27)15-29-19-11-12-23-20(13-19)22(26)14-24(30-23)17-5-3-2-4-6-17/h2-14,27H,15H2,1H3/b25-21-
InChIKeyJIDXWDQCTGUPSK-DAFNUICNSA-N
MW401.42 g/mol
LogP4.73
Rot. Bonds6

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

6-[(2E)-2-hydroxyimino-2-(4-methoxyphenyl)ethoxy]-2-phenylchromen-4-one (PubChem CID 11611054) has the molecular formula C24H19NO5 and a molecular weight of 401.42 g/mol. Its IUPAC name is 6-[(2E)-2-hydroxyimino-2-(4-methoxyphenyl)ethoxy]-2-phenylchromen-4-one.

Molecular Properties

Compound Name6-[(2E)-2-hydroxyimino-2-(4-methoxyphenyl)ethoxy]-2-phenylchromen-4-one
PubChem CID11611054
Molecular FormulaC24H19NO5
Molecular Weight401.42 g/mol
Exact Mass401.13
IUPAC Name6-[(2E)-2-hydroxyimino-2-(4-methoxyphenyl)ethoxy]-2-phenylchromen-4-one
SMILESCOc1ccc(/C(COc2ccc3oc(-c4ccccc4)cc(=O)c3c2)=N\O)cc1
InChIInChI=1S/C24H19NO5/c1-28-18-9-7-16(8-10-18)21(25-27)15-29-19-11-12-23-20(13-19)22(26)14-24(30-23)17-5-3-2-4-6-17/h2-14,27H,15H2,1H3/b25-21-
InChIKeyJIDXWDQCTGUPSK-DAFNUICNSA-N
XLogP4.73
TPSA81.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-[(2E)-2-hydroxyimino-2-(4-methoxyphenyl)ethoxy]-2-phenylchromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(2E)-2-hydroxyimino-2-(4-methoxyphenyl)ethoxy]-2-phenylchromen-4-one?
The IUPAC name of 6-[(2E)-2-hydroxyimino-2-(4-methoxyphenyl)ethoxy]-2-phenylchromen-4-one (CID 11611054) is 6-[(2E)-2-hydroxyimino-2-(4-methoxyphenyl)ethoxy]-2-phenylchromen-4-one.
What is the SMILES notation for 6-[(2E)-2-hydroxyimino-2-(4-methoxyphenyl)ethoxy]-2-phenylchromen-4-one?
The canonical SMILES for 6-[(2E)-2-hydroxyimino-2-(4-methoxyphenyl)ethoxy]-2-phenylchromen-4-one is COc1ccc(/C(COc2ccc3oc(-c4ccccc4)cc(=O)c3c2)=N\O)cc1.
What is the InChIKey of 6-[(2E)-2-hydroxyimino-2-(4-methoxyphenyl)ethoxy]-2-phenylchromen-4-one?
The InChIKey is JIDXWDQCTGUPSK-DAFNUICNSA-N. The full InChI is InChI=1S/C24H19NO5/c1-28-18-9-7-16(8-10-18)21(25-27)15-29-19-11-12-23-20(13-19)22(26)14-24(30-23)17-5-3-2-4-6-17/h2-14,27H,15H2,1H3/b25-21-.
What are the key properties of 6-[(2E)-2-hydroxyimino-2-(4-methoxyphenyl)ethoxy]-2-phenylchromen-4-one?
6-[(2E)-2-hydroxyimino-2-(4-methoxyphenyl)ethoxy]-2-phenylchromen-4-one has a molecular weight of 401.42 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2E)-2-hydroxyimino-2-(4-methoxyphenyl)ethoxy]-2-phenylchromen-4-one is sourced from PubChem (CID 11611054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).