2-(3-amino-4-methoxyphenyl)-5-hydroxy-7-methoxy-3-(3,4,5-trimethoxyphenyl)chromen-4-one

C26H25NO8 — CID 11634352

IUPAC2-(3-amino-4-methoxyphenyl)-5-hydroxy-7-methoxy-3-(3,4,5-trimethoxyphenyl)chromen-4-one
SMILESCOc1cc(O)c2c(=O)c(-c3cc(OC)c(OC)c(OC)c3)c(-c3ccc(OC)c(N)c3)oc2c1
InChIInChI=1S/C26H25NO8/c1-30-15-11-17(28)23-19(12-15)35-25(13-6-7-18(31-2)16(27)8-13)22(24(23)29)14-9-20(32-3)26(34-5)21(10-14)33-4/h6-12,28H,27H2,1-5H3
InChIKeyNXQMJDRPCCYFPU-UHFFFAOYSA-N
MW479.49 g/mol
LogP4.46
Rot. Bonds7

About 2-(3-amino-4-methoxyphenyl)-5-hydroxy-7-methoxy-3-(3,4,5-trimethoxyphenyl)chromen-4-one

2-(3-amino-4-methoxyphenyl)-5-hydroxy-7-methoxy-3-(3,4,5-trimethoxyphenyl)chromen-4-one (PubChem CID 11634352) has the molecular formula C26H25NO8 and a molecular weight of 479.49 g/mol. Its IUPAC name is 2-(3-amino-4-methoxyphenyl)-5-hydroxy-7-methoxy-3-(3,4,5-trimethoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name2-(3-amino-4-methoxyphenyl)-5-hydroxy-7-methoxy-3-(3,4,5-trimethoxyphenyl)chromen-4-one
PubChem CID11634352
Molecular FormulaC26H25NO8
Molecular Weight479.49 g/mol
Exact Mass479.16
IUPAC Name2-(3-amino-4-methoxyphenyl)-5-hydroxy-7-methoxy-3-(3,4,5-trimethoxyphenyl)chromen-4-one
SMILESCOc1cc(O)c2c(=O)c(-c3cc(OC)c(OC)c(OC)c3)c(-c3ccc(OC)c(N)c3)oc2c1
InChIInChI=1S/C26H25NO8/c1-30-15-11-17(28)23-19(12-15)35-25(13-6-7-18(31-2)16(27)8-13)22(24(23)29)14-9-20(32-3)26(34-5)21(10-14)33-4/h6-12,28H,27H2,1-5H3
InChIKeyNXQMJDRPCCYFPU-UHFFFAOYSA-N
XLogP4.46
TPSA122.61 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.49
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one;methoxymethane
CID 68984342
2-(3-amino-4-methoxyphenyl)-5-hydroxy-7-methoxychromen-4-one
CID 44583449
3,5-dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-7-methoxychromen-4-one
CID 12532439
[4-(5-hydroxy-3,7-dimethoxy-4-oxochromen-2-yl)-2-methoxyphenyl] (2S)-2-aminopropanoate;hydrobromide
CID 70553165
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxychromen-4-one
CID 5380905
5-hydroxy-3,7-dimethoxy-2-phenylchromen-4-one
CID 139068259
2-(4-hydroxyphenyl)-3,5,7-trimethoxychromen-4-one
CID 14414499
3,5-dihydroxy-2-(3-hydroxy-2-methoxyphenyl)-7-methoxychromen-4-one
CID 11012936
2-(1,3-benzodioxol-5-yl)-5-hydroxy-3,7-dimethoxychromen-4-one
CID 5466137
[2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl] sulfate;hydron
CID 173104909
3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxychromen-4-one
CID 5317287
3,7-dihydroxy-6-[5-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)-2-methoxyphenyl]-2-(4-methoxyphenyl)chromen-4-one
CID 101423545

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-methoxyphenyl)-5-hydroxy-7-methoxy-3-(3,4,5-trimethoxyphenyl)chromen-4-one?
The IUPAC name of 2-(3-amino-4-methoxyphenyl)-5-hydroxy-7-methoxy-3-(3,4,5-trimethoxyphenyl)chromen-4-one (CID 11634352) is 2-(3-amino-4-methoxyphenyl)-5-hydroxy-7-methoxy-3-(3,4,5-trimethoxyphenyl)chromen-4-one.
What is the SMILES notation for 2-(3-amino-4-methoxyphenyl)-5-hydroxy-7-methoxy-3-(3,4,5-trimethoxyphenyl)chromen-4-one?
The canonical SMILES for 2-(3-amino-4-methoxyphenyl)-5-hydroxy-7-methoxy-3-(3,4,5-trimethoxyphenyl)chromen-4-one is COc1cc(O)c2c(=O)c(-c3cc(OC)c(OC)c(OC)c3)c(-c3ccc(OC)c(N)c3)oc2c1.
What is the InChIKey of 2-(3-amino-4-methoxyphenyl)-5-hydroxy-7-methoxy-3-(3,4,5-trimethoxyphenyl)chromen-4-one?
The InChIKey is NXQMJDRPCCYFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO8/c1-30-15-11-17(28)23-19(12-15)35-25(13-6-7-18(31-2)16(27)8-13)22(24(23)29)14-9-20(32-3)26(34-5)21(10-14)33-4/h6-12,28H,27H2,1-5H3.
What are the key properties of 2-(3-amino-4-methoxyphenyl)-5-hydroxy-7-methoxy-3-(3,4,5-trimethoxyphenyl)chromen-4-one?
2-(3-amino-4-methoxyphenyl)-5-hydroxy-7-methoxy-3-(3,4,5-trimethoxyphenyl)chromen-4-one has a molecular weight of 479.49 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-methoxyphenyl)-5-hydroxy-7-methoxy-3-(3,4,5-trimethoxyphenyl)chromen-4-one is sourced from PubChem (CID 11634352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).