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

C20H20O7 — CID 91973754

IUPAC3-(3,4-dimethoxyphenyl)-6,7,8-trimethoxychromen-4-one
SMILESCOc1ccc(-c2coc3c(OC)c(OC)c(OC)cc3c2=O)cc1OC
InChIInChI=1S/C20H20O7/c1-22-14-7-6-11(8-15(14)23-2)13-10-27-18-12(17(13)21)9-16(24-3)19(25-4)20(18)26-5/h6-10H,1-5H3
InChIKeyKJVNWEJOVFBHAO-UHFFFAOYSA-N
MW372.37 g/mol
LogP3.50
Rot. Bonds6

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

3-(3,4-dimethoxyphenyl)-6,7,8-trimethoxychromen-4-one (PubChem CID 91973754) has the molecular formula C20H20O7 and a molecular weight of 372.37 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-6,7,8-trimethoxychromen-4-one.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-6,7,8-trimethoxychromen-4-one
PubChem CID91973754
Molecular FormulaC20H20O7
Molecular Weight372.37 g/mol
Exact Mass372.12
IUPAC Name3-(3,4-dimethoxyphenyl)-6,7,8-trimethoxychromen-4-one
SMILESCOc1ccc(-c2coc3c(OC)c(OC)c(OC)cc3c2=O)cc1OC
InChIInChI=1S/C20H20O7/c1-22-14-7-6-11(8-15(14)23-2)13-10-27-18-12(17(13)21)9-16(24-3)19(25-4)20(18)26-5/h6-10H,1-5H3
InChIKeyKJVNWEJOVFBHAO-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

3-(3,4-dimethoxyphenyl)-7,8-dimethoxychromen-4-one
CID 638205
3-(3,4-dimethoxyphenyl)-6,7-dimethoxychromen-4-one
CID 631176
3-(3,4-dimethoxyphenyl)-6,7-dihydroxychromen-4-one
CID 21270169
3-(1-benzothiophen-3-yl)-6,7,8-trimethoxychromen-4-one
CID 166635823
(10S)-3-(3,4-dimethoxyphenyl)-10-(2,3,4-trimethoxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
CID 125122047
3,9-bis(3,4-dimethoxyphenyl)-5-hydroxypyrano[2,3-h]chromene-4,10-dione
CID 127051628
2-(3,4-dimethoxyphenyl)-6,7,8-trimethoxychromen-4-one
CID 44584772
CID 170734664
CID 170734664
3-(3,4-dihydroxyphenyl)-7-hydroxy-5,8-dimethoxychromen-4-one
CID 10853861
5-hydroxy-7,8-dimethoxy-3-(4-methoxyphenyl)chromen-4-one
CID 6708795
8-bromo-7-methoxy-3-(4-methoxyphenyl)chromen-4-one
CID 14044483
6,7-dimethoxy-3-(3-methoxyphenyl)chromen-4-one
CID 15228899

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-6,7,8-trimethoxychromen-4-one?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-6,7,8-trimethoxychromen-4-one (CID 91973754) is 3-(3,4-dimethoxyphenyl)-6,7,8-trimethoxychromen-4-one.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-6,7,8-trimethoxychromen-4-one?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-6,7,8-trimethoxychromen-4-one is COc1ccc(-c2coc3c(OC)c(OC)c(OC)cc3c2=O)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-6,7,8-trimethoxychromen-4-one?
The InChIKey is KJVNWEJOVFBHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O7/c1-22-14-7-6-11(8-15(14)23-2)13-10-27-18-12(17(13)21)9-16(24-3)19(25-4)20(18)26-5/h6-10H,1-5H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-6,7,8-trimethoxychromen-4-one?
3-(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 3-(3,4-dimethoxyphenyl)-6,7,8-trimethoxychromen-4-one is sourced from PubChem (CID 91973754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).