7-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-3,5,6-trimethoxychromen-4-one

C20H20O9 — CID 5316815

IUPAC7-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-3,5,6-trimethoxychromen-4-one
SMILESCOc1cc(-c2oc3cc(O)c(OC)c(OC)c3c(=O)c2OC)cc(O)c1OC
InChIInChI=1S/C20H20O9/c1-24-13-7-9(6-10(21)17(13)25-2)16-20(28-5)15(23)14-12(29-16)8-11(22)18(26-3)19(14)27-4/h6-8,21-22H,1-5H3
InChIKeyLXQUCUQNRDUIPD-UHFFFAOYSA-N
MW404.37 g/mol
LogP2.91
Rot. Bonds6

About 7-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-3,5,6-trimethoxychromen-4-one

7-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-3,5,6-trimethoxychromen-4-one (PubChem CID 5316815) has the molecular formula C20H20O9 and a molecular weight of 404.37 g/mol. Its IUPAC name is 7-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-3,5,6-trimethoxychromen-4-one.

Molecular Properties

Compound Name7-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-3,5,6-trimethoxychromen-4-one
PubChem CID5316815
Molecular FormulaC20H20O9
Molecular Weight404.37 g/mol
Exact Mass404.11
IUPAC Name7-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-3,5,6-trimethoxychromen-4-one
SMILESCOc1cc(-c2oc3cc(O)c(OC)c(OC)c3c(=O)c2OC)cc(O)c1OC
InChIInChI=1S/C20H20O9/c1-24-13-7-9(6-10(21)17(13)25-2)16-20(28-5)15(23)14-12(29-16)8-11(22)18(26-3)19(14)27-4/h6-8,21-22H,1-5H3
InChIKeyLXQUCUQNRDUIPD-UHFFFAOYSA-N
XLogP2.91
TPSA116.82 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.37
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

3,5-dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-7-methoxychromen-4-one
CID 12532439
4-(5,7-dihydroxy-3-methoxy-4-oxochromen-2-yl)-2-hydroxy-6-methoxyphenolate
CID 90658078
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
2-(3,4-dimethoxyphenyl)-5,6-dihydroxy-3,7-dimethoxychromen-4-one
CID 14376225
2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one;methoxymethane
CID 68984342
4-(5,7-dihydroxy-3,6-dimethoxy-4-oxochromen-2-yl)-2-hydroxybenzaldehyde
CID 142903601
(5,6,7-trimethoxy-4-oxo-2-phenylchromen-3-yl) hydrogen carbonate
CID 70411870
[4-(5-hydroxy-3,6,7-trimethoxy-4-oxochromen-2-yl)-2-methoxyphenyl] acetate
CID 124519226
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one
CID 5280862
2-(4-hydroxyphenyl)-3,5,7-trimethoxychromen-4-one
CID 14414499
5,7-dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxychromen-4-one
CID 5464170

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-3,5,6-trimethoxychromen-4-one?
The IUPAC name of 7-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-3,5,6-trimethoxychromen-4-one (CID 5316815) is 7-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-3,5,6-trimethoxychromen-4-one.
What is the SMILES notation for 7-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-3,5,6-trimethoxychromen-4-one?
The canonical SMILES for 7-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-3,5,6-trimethoxychromen-4-one is COc1cc(-c2oc3cc(O)c(OC)c(OC)c3c(=O)c2OC)cc(O)c1OC.
What is the InChIKey of 7-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-3,5,6-trimethoxychromen-4-one?
The InChIKey is LXQUCUQNRDUIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O9/c1-24-13-7-9(6-10(21)17(13)25-2)16-20(28-5)15(23)14-12(29-16)8-11(22)18(26-3)19(14)27-4/h6-8,21-22H,1-5H3.
What are the key properties of 7-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-3,5,6-trimethoxychromen-4-one?
7-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-3,5,6-trimethoxychromen-4-one has a molecular weight of 404.37 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-3,5,6-trimethoxychromen-4-one is sourced from PubChem (CID 5316815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).