7-[[4-[hydroxy(oxido)amino]phenyl]methoxy]-3-(4-methoxyphenoxy)chromen-4-one

C23H18NO7- — CID 163138200

IUPAC7-[[4-[hydroxy(oxido)amino]phenyl]methoxy]-3-(4-methoxyphenoxy)chromen-4-one
SMILESCOc1ccc(Oc2coc3cc(OCc4ccc(N([O-])O)cc4)ccc3c2=O)cc1
InChIInChI=1S/C23H18NO7/c1-28-17-6-8-18(9-7-17)31-22-14-30-21-12-19(10-11-20(21)23(22)25)29-13-15-2-4-16(5-3-15)24(26)27/h2-12,14,26H,13H2,1H3/q-1
InChIKeyXGMUDNPEGXJONO-UHFFFAOYSA-N
MW420.40 g/mol
LogP4.87
Rot. Bonds7

About 7-[[4-[hydroxy(oxido)amino]phenyl]methoxy]-3-(4-methoxyphenoxy)chromen-4-one

7-[[4-[hydroxy(oxido)amino]phenyl]methoxy]-3-(4-methoxyphenoxy)chromen-4-one (PubChem CID 163138200) has the molecular formula C23H18NO7- and a molecular weight of 420.40 g/mol. Its IUPAC name is 7-[[4-[hydroxy(oxido)amino]phenyl]methoxy]-3-(4-methoxyphenoxy)chromen-4-one.

Molecular Properties

Compound Name7-[[4-[hydroxy(oxido)amino]phenyl]methoxy]-3-(4-methoxyphenoxy)chromen-4-one
PubChem CID163138200
Molecular FormulaC23H18NO7-
Molecular Weight420.40 g/mol
Exact Mass420.11
IUPAC Name7-[[4-[hydroxy(oxido)amino]phenyl]methoxy]-3-(4-methoxyphenoxy)chromen-4-one
SMILESCOc1ccc(Oc2coc3cc(OCc4ccc(N([O-])O)cc4)ccc3c2=O)cc1
InChIInChI=1S/C23H18NO7/c1-28-17-6-8-18(9-7-17)31-22-14-30-21-12-19(10-11-20(21)23(22)25)29-13-15-2-4-16(5-3-15)24(26)27/h2-12,14,26H,13H2,1H3/q-1
InChIKeyXGMUDNPEGXJONO-UHFFFAOYSA-N
XLogP4.87
TPSA104.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.40
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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
3-(4-methoxyphenoxy)-7-[(3-methylphenyl)methoxy]chromen-4-one
CID 1033895
7-ethoxy-3-(4-methoxyphenoxy)chromen-4-one
CID 719937
N-hydroxy-4-[[3-(3-methoxyphenoxy)-4-oxochromen-7-yl]oxymethyl]benzeneamine oxide
CID 163121299
benzyl 2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxyacetate
CID 1182996
5-[[3-(4-ethylphenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylate
CID 7138904
[3-(4-methoxyphenoxy)-4-oxochromen-7-yl] 3,3-dimethylbutanoate
CID 2791400
5-[[3-(4-methylphenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylic acid
CID 7138917
ethyl (2R)-2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate
CID 1184521
N-cyclohexyl-2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxyacetamide
CID 1192171
5-[[3-(3,5-dimethylphenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylate
CID 7138884
3-(4-bromophenyl)-7-[[4-[hydroxy(oxido)amino]phenyl]methoxy]-2-methylchromen-4-one
CID 163167473

Frequently Asked Questions

What is the IUPAC name of 7-[[4-[hydroxy(oxido)amino]phenyl]methoxy]-3-(4-methoxyphenoxy)chromen-4-one?
The IUPAC name of 7-[[4-[hydroxy(oxido)amino]phenyl]methoxy]-3-(4-methoxyphenoxy)chromen-4-one (CID 163138200) is 7-[[4-[hydroxy(oxido)amino]phenyl]methoxy]-3-(4-methoxyphenoxy)chromen-4-one.
What is the SMILES notation for 7-[[4-[hydroxy(oxido)amino]phenyl]methoxy]-3-(4-methoxyphenoxy)chromen-4-one?
The canonical SMILES for 7-[[4-[hydroxy(oxido)amino]phenyl]methoxy]-3-(4-methoxyphenoxy)chromen-4-one is COc1ccc(Oc2coc3cc(OCc4ccc(N([O-])O)cc4)ccc3c2=O)cc1.
What is the InChIKey of 7-[[4-[hydroxy(oxido)amino]phenyl]methoxy]-3-(4-methoxyphenoxy)chromen-4-one?
The InChIKey is XGMUDNPEGXJONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18NO7/c1-28-17-6-8-18(9-7-17)31-22-14-30-21-12-19(10-11-20(21)23(22)25)29-13-15-2-4-16(5-3-15)24(26)27/h2-12,14,26H,13H2,1H3/q-1.
What are the key properties of 7-[[4-[hydroxy(oxido)amino]phenyl]methoxy]-3-(4-methoxyphenoxy)chromen-4-one?
7-[[4-[hydroxy(oxido)amino]phenyl]methoxy]-3-(4-methoxyphenoxy)chromen-4-one has a molecular weight of 420.40 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-[hydroxy(oxido)amino]phenyl]methoxy]-3-(4-methoxyphenoxy)chromen-4-one is sourced from PubChem (CID 163138200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).