2-(3,4-dimethoxyphenyl)-6,7,8-trimethoxychromen-4-one

C20H20O7 — CID 44584772

IUPAC2-(3,4-dimethoxyphenyl)-6,7,8-trimethoxychromen-4-one
SMILESCOc1ccc(-c2cc(=O)c3cc(OC)c(OC)c(OC)c3o2)cc1OC
InChIInChI=1S/C20H20O7/c1-22-14-7-6-11(8-16(14)23-2)15-10-13(21)12-9-17(24-3)19(25-4)20(26-5)18(12)27-15/h6-10H,1-5H3
InChIKeyMNQMRHVEXBTNRO-UHFFFAOYSA-N
MW372.37 g/mol
LogP3.50
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-6,7,8-trimethoxychromen-4-one

2-(3,4-dimethoxyphenyl)-6,7,8-trimethoxychromen-4-one (PubChem CID 44584772) has the molecular formula C20H20O7 and a molecular weight of 372.37 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-6,7,8-trimethoxychromen-4-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-6,7,8-trimethoxychromen-4-one
PubChem CID44584772
Molecular FormulaC20H20O7
Molecular Weight372.37 g/mol
Exact Mass372.12
IUPAC Name2-(3,4-dimethoxyphenyl)-6,7,8-trimethoxychromen-4-one
SMILESCOc1ccc(-c2cc(=O)c3cc(OC)c(OC)c(OC)c3o2)cc1OC
InChIInChI=1S/C20H20O7/c1-22-14-7-6-11(8-16(14)23-2)15-10-13(21)12-9-17(24-3)19(25-4)20(26-5)18(12)27-15/h6-10H,1-5H3
InChIKeyMNQMRHVEXBTNRO-UHFFFAOYSA-N
XLogP3.50
TPSA76.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,4-dimethoxyphenyl)-7-hydroxy-6-methoxychromen-4-one
CID 14235163
2-(3,4-dimethoxyphenyl)chromen-4-one
CID 158873505
6-amino-2-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one
CID 72705992
[2-(3,4-dimethoxyphenyl)-6,7-dimethoxy-4-oxochromen-5-yl] acetate
CID 12679339
2-(3,4-dimethoxyphenyl)-5,7,8-trihydroxychromen-4-one
CID 71403910
2-(3,4-dimethoxyphenyl)pyrano[2,3-b]pyridin-4-one
CID 53341624
2-(1,3-benzodioxol-5-yl)-7,8-dimethoxychromen-4-one
CID 11834369
8-(3,4-dimethoxyphenyl)-5,6-dimethoxy-2,2-dimethyl-3,4-dihydropyrano[2,3-f]chromen-10-one
CID 163059713
3-(3,4-dimethoxyphenyl)-6,7,8-trimethoxychromen-4-one
CID 91973754
2-[4-(dimethylamino)phenyl]-7,8-dimethoxychromen-4-one;hydrobromide
CID 66521679
6,7-dimethoxy-2-[4-(4-methoxyphenyl)phenyl]chromen-4-one
CID 155754088
2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one
CID 158796402

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-6,7,8-trimethoxychromen-4-one?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-6,7,8-trimethoxychromen-4-one (CID 44584772) is 2-(3,4-dimethoxyphenyl)-6,7,8-trimethoxychromen-4-one.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-6,7,8-trimethoxychromen-4-one?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-6,7,8-trimethoxychromen-4-one is COc1ccc(-c2cc(=O)c3cc(OC)c(OC)c(OC)c3o2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-6,7,8-trimethoxychromen-4-one?
The InChIKey is MNQMRHVEXBTNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O7/c1-22-14-7-6-11(8-16(14)23-2)15-10-13(21)12-9-17(24-3)19(25-4)20(26-5)18(12)27-15/h6-10H,1-5H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-6,7,8-trimethoxychromen-4-one?
2-(3,4-dimethoxyphenyl)-6,7,8-trimethoxychromen-4-one has a molecular weight of 372.37 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-6,7,8-trimethoxychromen-4-one is sourced from PubChem (CID 44584772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).