2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7,8-trimethoxy-4H-chromen-3-one

C20H22O8 — CID 68923901

IUPAC2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7,8-trimethoxy-4H-chromen-3-one
SMILESCOc1ccc(C2Oc3c(c(O)c(OC)c(OC)c3OC)CC2=O)cc1OC
InChIInChI=1S/C20H22O8/c1-23-13-7-6-10(8-14(13)24-2)16-12(21)9-11-15(22)18(25-3)20(27-5)19(26-4)17(11)28-16/h6-8,16,22H,9H2,1-5H3
InChIKeyOCABACTXMAPWIF-UHFFFAOYSA-N
MW390.39 g/mol
LogP2.68
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7,8-trimethoxy-4H-chromen-3-one

2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7,8-trimethoxy-4H-chromen-3-one (PubChem CID 68923901) has the molecular formula C20H22O8 and a molecular weight of 390.39 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7,8-trimethoxy-4H-chromen-3-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7,8-trimethoxy-4H-chromen-3-one
PubChem CID68923901
Molecular FormulaC20H22O8
Molecular Weight390.39 g/mol
Exact Mass390.13
IUPAC Name2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7,8-trimethoxy-4H-chromen-3-one
SMILESCOc1ccc(C2Oc3c(c(O)c(OC)c(OC)c3OC)CC2=O)cc1OC
InChIInChI=1S/C20H22O8/c1-23-13-7-6-10(8-14(13)24-2)16-12(21)9-11-15(22)18(25-3)20(27-5)19(26-4)17(11)28-16/h6-8,16,22H,9H2,1-5H3
InChIKeyOCABACTXMAPWIF-UHFFFAOYSA-N
XLogP2.68
TPSA92.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7,8-trimethoxy-4H-chromen-3-one?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7,8-trimethoxy-4H-chromen-3-one (CID 68923901) is 2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7,8-trimethoxy-4H-chromen-3-one.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7,8-trimethoxy-4H-chromen-3-one?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7,8-trimethoxy-4H-chromen-3-one is COc1ccc(C2Oc3c(c(O)c(OC)c(OC)c3OC)CC2=O)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7,8-trimethoxy-4H-chromen-3-one?
The InChIKey is OCABACTXMAPWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O8/c1-23-13-7-6-10(8-14(13)24-2)16-12(21)9-11-15(22)18(25-3)20(27-5)19(26-4)17(11)28-16/h6-8,16,22H,9H2,1-5H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7,8-trimethoxy-4H-chromen-3-one?
2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7,8-trimethoxy-4H-chromen-3-one has a molecular weight of 390.39 g/mol, XLogP of 2.68, 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-6,7,8-trimethoxy-4H-chromen-3-one is sourced from PubChem (CID 68923901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).