8-[(dimethylamino)methyl]-5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one

C19H19NO6 — CID 11739803

IUPAC8-[(dimethylamino)methyl]-5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one
SMILESCOc1c(O)c(CN(C)C)c2occ(-c3ccc(O)cc3)c(=O)c2c1O
InChIInChI=1S/C19H19NO6/c1-20(2)8-12-16(23)19(25-3)17(24)14-15(22)13(9-26-18(12)14)10-4-6-11(21)7-5-10/h4-7,9,21,23-24H,8H2,1-3H3
InChIKeyRPYPQBXNHGTHMC-UHFFFAOYSA-N
MW357.36 g/mol
LogP2.65
Rot. Bonds4

About 8-[(dimethylamino)methyl]-5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one

8-[(dimethylamino)methyl]-5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one (PubChem CID 11739803) has the molecular formula C19H19NO6 and a molecular weight of 357.36 g/mol. Its IUPAC name is 8-[(dimethylamino)methyl]-5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one.

Molecular Properties

Compound Name8-[(dimethylamino)methyl]-5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one
PubChem CID11739803
Molecular FormulaC19H19NO6
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC Name8-[(dimethylamino)methyl]-5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one
SMILESCOc1c(O)c(CN(C)C)c2occ(-c3ccc(O)cc3)c(=O)c2c1O
InChIInChI=1S/C19H19NO6/c1-20(2)8-12-16(23)19(25-3)17(24)14-15(22)13(9-26-18(12)14)10-4-6-11(21)7-5-10/h4-7,9,21,23-24H,8H2,1-3H3
InChIKeyRPYPQBXNHGTHMC-UHFFFAOYSA-N
XLogP2.65
TPSA103.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 52.65
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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Related Compounds

8-(aminomethyl)-5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one
CID 142974313
5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxy-8-(piperidin-1-ylmethyl)chromen-4-one
CID 11246498
5,7-dihydroxy-6-methoxy-3-(4-methoxyphenyl)-8-(methylaminomethyl)chromen-4-one
CID 90823287
5,7-dihydroxy-3-(4-hydroxyphenyl)-6,8-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-4-one
CID 162848184
5,7-dihydroxy-3-(4-hydroxyphenyl)-8-(2-methylpropyl)chromen-4-one
CID 135200514
5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-7-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 163053098
3-(4-aminophenyl)-5,7-dihydroxy-8-methoxychromen-4-one
CID 70652570
5-hydroxy-6,7-dimethoxy-3-(4-methoxyphenyl)chromen-4-one
CID 10830108
5-hydroxy-7,8-dimethoxy-3-(4-methoxyphenyl)chromen-4-one
CID 6708795
5,7-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-6,8-bis(3-methylbut-2-enyl)chromen-4-one
CID 15719494
6-(2-hydroxy-3-methylbut-3-enyl)-3-(4-hydroxyphenyl)-5-methoxy-8,8-dimethylpyrano[2,3-h]chromen-4-one
CID 46854087
7-ethoxy-3-(4-ethoxyphenyl)-5-hydroxy-6-methoxychromen-4-one
CID 46840811

Frequently Asked Questions

What is the IUPAC name of 8-[(dimethylamino)methyl]-5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one?
The IUPAC name of 8-[(dimethylamino)methyl]-5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one (CID 11739803) is 8-[(dimethylamino)methyl]-5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one.
What is the SMILES notation for 8-[(dimethylamino)methyl]-5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one?
The canonical SMILES for 8-[(dimethylamino)methyl]-5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one is COc1c(O)c(CN(C)C)c2occ(-c3ccc(O)cc3)c(=O)c2c1O.
What is the InChIKey of 8-[(dimethylamino)methyl]-5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one?
The InChIKey is RPYPQBXNHGTHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO6/c1-20(2)8-12-16(23)19(25-3)17(24)14-15(22)13(9-26-18(12)14)10-4-6-11(21)7-5-10/h4-7,9,21,23-24H,8H2,1-3H3.
What are the key properties of 8-[(dimethylamino)methyl]-5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one?
8-[(dimethylamino)methyl]-5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one has a molecular weight of 357.36 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(dimethylamino)methyl]-5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one is sourced from PubChem (CID 11739803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).