5,7-dihydroxy-6-methoxy-3-(4-methoxyphenyl)-8-(methylaminomethyl)chromen-4-one

C19H19NO6 — CID 90823287

IUPAC5,7-dihydroxy-6-methoxy-3-(4-methoxyphenyl)-8-(methylaminomethyl)chromen-4-one
SMILESCNCc1c(O)c(OC)c(O)c2c(=O)c(-c3ccc(OC)cc3)coc12
InChIInChI=1S/C19H19NO6/c1-20-8-12-16(22)19(25-3)17(23)14-15(21)13(9-26-18(12)14)10-4-6-11(24-2)7-5-10/h4-7,9,20,22-23H,8H2,1-3H3
InChIKeyPDFSSALGOWJPNP-UHFFFAOYSA-N
MW357.36 g/mol
LogP2.61
Rot. Bonds5

About 5,7-dihydroxy-6-methoxy-3-(4-methoxyphenyl)-8-(methylaminomethyl)chromen-4-one

5,7-dihydroxy-6-methoxy-3-(4-methoxyphenyl)-8-(methylaminomethyl)chromen-4-one (PubChem CID 90823287) has the molecular formula C19H19NO6 and a molecular weight of 357.36 g/mol. Its IUPAC name is 5,7-dihydroxy-6-methoxy-3-(4-methoxyphenyl)-8-(methylaminomethyl)chromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-6-methoxy-3-(4-methoxyphenyl)-8-(methylaminomethyl)chromen-4-one
PubChem CID90823287
Molecular FormulaC19H19NO6
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC Name5,7-dihydroxy-6-methoxy-3-(4-methoxyphenyl)-8-(methylaminomethyl)chromen-4-one
SMILESCNCc1c(O)c(OC)c(O)c2c(=O)c(-c3ccc(OC)cc3)coc12
InChIInChI=1S/C19H19NO6/c1-20-8-12-16(22)19(25-3)17(23)14-15(21)13(9-26-18(12)14)10-4-6-11(24-2)7-5-10/h4-7,9,20,22-23H,8H2,1-3H3
InChIKeyPDFSSALGOWJPNP-UHFFFAOYSA-N
XLogP2.61
TPSA101.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-6-methoxy-3-(4-methoxyphenyl)-8-(methylaminomethyl)chromen-4-one?
The IUPAC name of 5,7-dihydroxy-6-methoxy-3-(4-methoxyphenyl)-8-(methylaminomethyl)chromen-4-one (CID 90823287) is 5,7-dihydroxy-6-methoxy-3-(4-methoxyphenyl)-8-(methylaminomethyl)chromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-6-methoxy-3-(4-methoxyphenyl)-8-(methylaminomethyl)chromen-4-one?
The canonical SMILES for 5,7-dihydroxy-6-methoxy-3-(4-methoxyphenyl)-8-(methylaminomethyl)chromen-4-one is CNCc1c(O)c(OC)c(O)c2c(=O)c(-c3ccc(OC)cc3)coc12.
What is the InChIKey of 5,7-dihydroxy-6-methoxy-3-(4-methoxyphenyl)-8-(methylaminomethyl)chromen-4-one?
The InChIKey is PDFSSALGOWJPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO6/c1-20-8-12-16(22)19(25-3)17(23)14-15(21)13(9-26-18(12)14)10-4-6-11(24-2)7-5-10/h4-7,9,20,22-23H,8H2,1-3H3.
What are the key properties of 5,7-dihydroxy-6-methoxy-3-(4-methoxyphenyl)-8-(methylaminomethyl)chromen-4-one?
5,7-dihydroxy-6-methoxy-3-(4-methoxyphenyl)-8-(methylaminomethyl)chromen-4-one has a molecular weight of 357.36 g/mol, XLogP of 2.61, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-6-methoxy-3-(4-methoxyphenyl)-8-(methylaminomethyl)chromen-4-one is sourced from PubChem (CID 90823287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).