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

C20H20O8 — CID 5320351

IUPAC2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7-trimethoxychromen-4-one
SMILESCOc1ccc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OC)cc1OC
InChIInChI=1S/C20H20O8/c1-23-11-7-6-10(8-12(11)24-2)18-20(27-5)17(22)15-13(28-18)9-14(25-3)19(26-4)16(15)21/h6-9,21H,1-5H3
InChIKeyRIGYMJVFEJNCKD-UHFFFAOYSA-N
MW388.37 g/mol
LogP3.21
Rot. Bonds6

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

2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7-trimethoxychromen-4-one (PubChem CID 5320351) has the molecular formula C20H20O8 and a molecular weight of 388.37 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7-trimethoxychromen-4-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7-trimethoxychromen-4-one
PubChem CID5320351
Molecular FormulaC20H20O8
Molecular Weight388.37 g/mol
Exact Mass388.12
IUPAC Name2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7-trimethoxychromen-4-one
SMILESCOc1ccc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OC)cc1OC
InChIInChI=1S/C20H20O8/c1-23-11-7-6-10(8-12(11)24-2)18-20(27-5)17(22)15-13(28-18)9-14(25-3)19(26-4)16(15)21/h6-9,21H,1-5H3
InChIKeyRIGYMJVFEJNCKD-UHFFFAOYSA-N
XLogP3.21
TPSA96.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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Myricetin
CID 5281672
Diosmetin
CID 5281612
Silibinin
CID 31553
Epigallocatechin Gallate
CID 65064
Hesperetin
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(+)-Dihydromyricetin
CID 161557
Luteolin
CID 5280445

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7-trimethoxychromen-4-one?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7-trimethoxychromen-4-one (CID 5320351) is 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7-trimethoxychromen-4-one.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7-trimethoxychromen-4-one?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7-trimethoxychromen-4-one is COc1ccc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OC)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7-trimethoxychromen-4-one?
The InChIKey is RIGYMJVFEJNCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O8/c1-23-11-7-6-10(8-12(11)24-2)18-20(27-5)17(22)15-13(28-18)9-14(25-3)19(26-4)16(15)21/h6-9,21H,1-5H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7-trimethoxychromen-4-one?
2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7-trimethoxychromen-4-one has a molecular weight of 388.37 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7-trimethoxychromen-4-one is sourced from PubChem (CID 5320351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).