8-(dimethylamino)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxychromen-4-one

C21H23NO8 — CID 46211779

IUPAC8-(dimethylamino)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxychromen-4-one
SMILESCOc1ccc(-c2oc3c(N(C)C)c(OC)c(OC)c(O)c3c(=O)c2OC)cc1O
InChIInChI=1S/C21H23NO8/c1-22(2)14-18-13(16(25)21(29-6)19(14)27-4)15(24)20(28-5)17(30-18)10-7-8-12(26-3)11(23)9-10/h7-9,23,25H,1-6H3
InChIKeyDJYFBLLFROCFPO-UHFFFAOYSA-N
MW417.41 g/mol
LogP2.97
Rot. Bonds6

About 8-(dimethylamino)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxychromen-4-one

8-(dimethylamino)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxychromen-4-one (PubChem CID 46211779) has the molecular formula C21H23NO8 and a molecular weight of 417.41 g/mol. Its IUPAC name is 8-(dimethylamino)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxychromen-4-one.

Molecular Properties

Compound Name8-(dimethylamino)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxychromen-4-one
PubChem CID46211779
Molecular FormulaC21H23NO8
Molecular Weight417.41 g/mol
Exact Mass417.14
IUPAC Name8-(dimethylamino)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxychromen-4-one
SMILESCOc1ccc(-c2oc3c(N(C)C)c(OC)c(OC)c(O)c3c(=O)c2OC)cc1O
InChIInChI=1S/C21H23NO8/c1-22(2)14-18-13(16(25)21(29-6)19(14)27-4)15(24)20(28-5)17(30-18)10-7-8-12(26-3)11(23)9-10/h7-9,23,25H,1-6H3
InChIKeyDJYFBLLFROCFPO-UHFFFAOYSA-N
XLogP2.97
TPSA110.83 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.41
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 8-(dimethylamino)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxychromen-4-one with MolForge

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Related Compounds

2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6,7-trimethoxy-8-methylchromen-4-one
CID 15137940
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxychromen-4-one
CID 5380905
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-(hydroxymethyl)-3-methoxychromen-4-one
CID 58667503
3,8-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxychromen-4-one
CID 155537028
3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxychromen-4-one
CID 5317287
3,5,7,8-tetrahydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one
CID 90744052
5-hydroxy-3,7,8-trimethoxy-2-(4-methoxy-3-methylphenyl)chromen-4-one
CID 162848461
2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-3-methoxy-8-methylchromen-4-one
CID 146500533
[5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-4-oxochromen-3-yl] hydrogen sulfate
CID 14630675
2-(3,4-dimethoxyphenyl)-5,6-dihydroxy-3,7-dimethoxychromen-4-one
CID 14376225
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,7-dimethoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 74978483
2-(3,4-dihydroxyphenyl)-3,8-dihydroxy-7-methoxychromen-4-one
CID 18372853

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxychromen-4-one?
The IUPAC name of 8-(dimethylamino)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxychromen-4-one (CID 46211779) is 8-(dimethylamino)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxychromen-4-one.
What is the SMILES notation for 8-(dimethylamino)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxychromen-4-one?
The canonical SMILES for 8-(dimethylamino)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxychromen-4-one is COc1ccc(-c2oc3c(N(C)C)c(OC)c(OC)c(O)c3c(=O)c2OC)cc1O.
What is the InChIKey of 8-(dimethylamino)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxychromen-4-one?
The InChIKey is DJYFBLLFROCFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO8/c1-22(2)14-18-13(16(25)21(29-6)19(14)27-4)15(24)20(28-5)17(30-18)10-7-8-12(26-3)11(23)9-10/h7-9,23,25H,1-6H3.
What are the key properties of 8-(dimethylamino)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxychromen-4-one?
8-(dimethylamino)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxychromen-4-one has a molecular weight of 417.41 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxychromen-4-one is sourced from PubChem (CID 46211779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).