N-hydroxy-4-[(4-oxo-3-phenylchromen-7-yl)oxymethyl]benzeneamine oxide

C22H17NO5 — CID 163174518

IUPACN-hydroxy-4-[(4-oxo-3-phenylchromen-7-yl)oxymethyl]benzeneamine oxide
SMILESO=c1c(-c2ccccc2)coc2cc(OCc3ccc([NH+]([O-])O)cc3)ccc12
InChIInChI=1S/C22H17NO5/c24-22-19-11-10-18(27-13-15-6-8-17(9-7-15)23(25)26)12-21(19)28-14-20(22)16-4-2-1-3-5-16/h1-12,14,23,25H,13H2
InChIKeyWSIKVIYVXMASKH-UHFFFAOYSA-N
MW375.38 g/mol
LogP3.44
Rot. Bonds5

About N-hydroxy-4-[(4-oxo-3-phenylchromen-7-yl)oxymethyl]benzeneamine oxide

N-hydroxy-4-[(4-oxo-3-phenylchromen-7-yl)oxymethyl]benzeneamine oxide (PubChem CID 163174518) has the molecular formula C22H17NO5 and a molecular weight of 375.38 g/mol. Its IUPAC name is N-hydroxy-4-[(4-oxo-3-phenylchromen-7-yl)oxymethyl]benzeneamine oxide.

Molecular Properties

Compound NameN-hydroxy-4-[(4-oxo-3-phenylchromen-7-yl)oxymethyl]benzeneamine oxide
PubChem CID163174518
Molecular FormulaC22H17NO5
Molecular Weight375.38 g/mol
Exact Mass375.11
IUPAC NameN-hydroxy-4-[(4-oxo-3-phenylchromen-7-yl)oxymethyl]benzeneamine oxide
SMILESO=c1c(-c2ccccc2)coc2cc(OCc3ccc([NH+]([O-])O)cc3)ccc12
InChIInChI=1S/C22H17NO5/c24-22-19-11-10-18(27-13-15-6-8-17(9-7-15)23(25)26)12-21(19)28-14-20(22)16-4-2-1-3-5-16/h1-12,14,23,25H,13H2
InChIKeyWSIKVIYVXMASKH-UHFFFAOYSA-N
XLogP3.44
TPSA87.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-4-[[3-(3-methoxyphenoxy)-4-oxochromen-7-yl]oxymethyl]benzeneamine oxide
CID 163121299
2-(4-oxo-3-phenylchromen-7-yl)oxyacetic acid
CID 15122627
3-phenyl-7-(2-phenylethoxy)chromen-4-one
CID 23878926
3-(4-bromophenyl)-7-[(4-methylphenyl)methoxy]chromen-4-one
CID 2013461
6-(4-oxo-3-phenylchromen-7-yl)oxyhexanoic acid
CID 54129732
4-[3-(4-chlorophenyl)-4-oxochromen-7-yl]oxycarbonyl-N-hydroxybenzeneamine oxide
CID 163130752
N-hydroxy-4-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxycarbonylbenzeneamine oxide
CID 163172406
7-(3-methylbutoxy)-3-phenylchromen-4-one
CID 23931723
ethyl 4-[[3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxymethyl]benzoate
CID 67279205
(4-oxo-3-phenylchromen-7-yl) 2-phenoxyacetate
CID 8913011
N-benzyl-N-methyl-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 2421773
7-(1-hydroxypropan-2-yloxy)-3-phenylchromen-4-one
CID 101159250

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(4-oxo-3-phenylchromen-7-yl)oxymethyl]benzeneamine oxide?
The IUPAC name of N-hydroxy-4-[(4-oxo-3-phenylchromen-7-yl)oxymethyl]benzeneamine oxide (CID 163174518) is N-hydroxy-4-[(4-oxo-3-phenylchromen-7-yl)oxymethyl]benzeneamine oxide.
What is the SMILES notation for N-hydroxy-4-[(4-oxo-3-phenylchromen-7-yl)oxymethyl]benzeneamine oxide?
The canonical SMILES for N-hydroxy-4-[(4-oxo-3-phenylchromen-7-yl)oxymethyl]benzeneamine oxide is O=c1c(-c2ccccc2)coc2cc(OCc3ccc([NH+]([O-])O)cc3)ccc12.
What is the InChIKey of N-hydroxy-4-[(4-oxo-3-phenylchromen-7-yl)oxymethyl]benzeneamine oxide?
The InChIKey is WSIKVIYVXMASKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO5/c24-22-19-11-10-18(27-13-15-6-8-17(9-7-15)23(25)26)12-21(19)28-14-20(22)16-4-2-1-3-5-16/h1-12,14,23,25H,13H2.
What are the key properties of N-hydroxy-4-[(4-oxo-3-phenylchromen-7-yl)oxymethyl]benzeneamine oxide?
N-hydroxy-4-[(4-oxo-3-phenylchromen-7-yl)oxymethyl]benzeneamine oxide has a molecular weight of 375.38 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(4-oxo-3-phenylchromen-7-yl)oxymethyl]benzeneamine oxide is sourced from PubChem (CID 163174518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).