N-hydroxy-4-[[3-(3-methoxyphenoxy)-4-oxochromen-7-yl]oxymethyl]benzeneamine oxide

C23H19NO7 — CID 163121299

IUPACN-hydroxy-4-[[3-(3-methoxyphenoxy)-4-oxochromen-7-yl]oxymethyl]benzeneamine oxide
SMILESCOc1cccc(Oc2coc3cc(OCc4ccc([NH+]([O-])O)cc4)ccc3c2=O)c1
InChIInChI=1S/C23H19NO7/c1-28-17-3-2-4-19(11-17)31-22-14-30-21-12-18(9-10-20(21)23(22)25)29-13-15-5-7-16(8-6-15)24(26)27/h2-12,14,24,26H,13H2,1H3
InChIKeyBPTJPXUCJJHTFX-UHFFFAOYSA-N
MW421.41 g/mol
LogP3.58
Rot. Bonds7

About N-hydroxy-4-[[3-(3-methoxyphenoxy)-4-oxochromen-7-yl]oxymethyl]benzeneamine oxide

N-hydroxy-4-[[3-(3-methoxyphenoxy)-4-oxochromen-7-yl]oxymethyl]benzeneamine oxide (PubChem CID 163121299) has the molecular formula C23H19NO7 and a molecular weight of 421.41 g/mol. Its IUPAC name is N-hydroxy-4-[[3-(3-methoxyphenoxy)-4-oxochromen-7-yl]oxymethyl]benzeneamine oxide.

Molecular Properties

Compound NameN-hydroxy-4-[[3-(3-methoxyphenoxy)-4-oxochromen-7-yl]oxymethyl]benzeneamine oxide
PubChem CID163121299
Molecular FormulaC23H19NO7
Molecular Weight421.41 g/mol
Exact Mass421.12
IUPAC NameN-hydroxy-4-[[3-(3-methoxyphenoxy)-4-oxochromen-7-yl]oxymethyl]benzeneamine oxide
SMILESCOc1cccc(Oc2coc3cc(OCc4ccc([NH+]([O-])O)cc4)ccc3c2=O)c1
InChIInChI=1S/C23H19NO7/c1-28-17-3-2-4-19(11-17)31-22-14-30-21-12-18(9-10-20(21)23(22)25)29-13-15-5-7-16(8-6-15)24(26)27/h2-12,14,24,26H,13H2,1H3
InChIKeyBPTJPXUCJJHTFX-UHFFFAOYSA-N
XLogP3.58
TPSA105.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.41
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

7-[(4-fluorophenyl)methoxy]-3-(4-methoxyphenoxy)chromen-4-one
CID 1182864
7-[[4-[hydroxy(oxido)amino]phenyl]methoxy]-3-(4-methoxyphenoxy)chromen-4-one
CID 163138200
N-hydroxy-4-[(4-oxo-3-phenylchromen-7-yl)oxymethyl]benzeneamine oxide
CID 163174518
3-(4-methoxyphenoxy)-7-[(3-methylphenyl)methoxy]chromen-4-one
CID 1033895
5-[[3-(3-methylphenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylate
CID 7138892
7-ethoxy-3-(4-methoxyphenoxy)chromen-4-one
CID 719937
benzyl 2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxyacetate
CID 1182996
5-[[3-(3-methylphenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylic acid
CID 7138893
N-hydroxy-4-[[3-(4-methoxycarbonylphenoxy)-2-methyl-4-oxochromen-7-yl]oxymethyl]benzeneamine oxide
CID 163141415
5-[[3-(4-ethylphenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylate
CID 7138904
5-[[3-(3,5-dimethylphenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylate
CID 7138884
5-[[3-(4-methylphenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylic acid
CID 7138917

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[3-(3-methoxyphenoxy)-4-oxochromen-7-yl]oxymethyl]benzeneamine oxide?
The IUPAC name of N-hydroxy-4-[[3-(3-methoxyphenoxy)-4-oxochromen-7-yl]oxymethyl]benzeneamine oxide (CID 163121299) is N-hydroxy-4-[[3-(3-methoxyphenoxy)-4-oxochromen-7-yl]oxymethyl]benzeneamine oxide.
What is the SMILES notation for N-hydroxy-4-[[3-(3-methoxyphenoxy)-4-oxochromen-7-yl]oxymethyl]benzeneamine oxide?
The canonical SMILES for N-hydroxy-4-[[3-(3-methoxyphenoxy)-4-oxochromen-7-yl]oxymethyl]benzeneamine oxide is COc1cccc(Oc2coc3cc(OCc4ccc([NH+]([O-])O)cc4)ccc3c2=O)c1.
What is the InChIKey of N-hydroxy-4-[[3-(3-methoxyphenoxy)-4-oxochromen-7-yl]oxymethyl]benzeneamine oxide?
The InChIKey is BPTJPXUCJJHTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO7/c1-28-17-3-2-4-19(11-17)31-22-14-30-21-12-18(9-10-20(21)23(22)25)29-13-15-5-7-16(8-6-15)24(26)27/h2-12,14,24,26H,13H2,1H3.
What are the key properties of N-hydroxy-4-[[3-(3-methoxyphenoxy)-4-oxochromen-7-yl]oxymethyl]benzeneamine oxide?
N-hydroxy-4-[[3-(3-methoxyphenoxy)-4-oxochromen-7-yl]oxymethyl]benzeneamine oxide has a molecular weight of 421.41 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[3-(3-methoxyphenoxy)-4-oxochromen-7-yl]oxymethyl]benzeneamine oxide is sourced from PubChem (CID 163121299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).