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

C20H22O7 — CID 175541735

IUPAC2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-4H-chromen-3-one
SMILESCOc1ccc(C2Oc3cc(OC)c(OC)c(OC)c3CC2=O)cc1OC
InChIInChI=1S/C20H22O7/c1-22-14-7-6-11(8-16(14)23-2)18-13(21)9-12-15(27-18)10-17(24-3)20(26-5)19(12)25-4/h6-8,10,18H,9H2,1-5H3
InChIKeyZKAMCZOSMJVKDR-UHFFFAOYSA-N
MW374.39 g/mol
LogP2.97
Rot. Bonds6

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

2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-4H-chromen-3-one (PubChem CID 175541735) has the molecular formula C20H22O7 and a molecular weight of 374.39 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-4H-chromen-3-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-4H-chromen-3-one
PubChem CID175541735
Molecular FormulaC20H22O7
Molecular Weight374.39 g/mol
Exact Mass374.14
IUPAC Name2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-4H-chromen-3-one
SMILESCOc1ccc(C2Oc3cc(OC)c(OC)c(OC)c3CC2=O)cc1OC
InChIInChI=1S/C20H22O7/c1-22-14-7-6-11(8-16(14)23-2)18-13(21)9-12-15(27-18)10-17(24-3)20(26-5)19(12)25-4/h6-8,10,18H,9H2,1-5H3
InChIKeyZKAMCZOSMJVKDR-UHFFFAOYSA-N
XLogP2.97
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7,8-trimethoxy-4H-chromen-3-one
CID 68923901
methyl 4-[[5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-oxo-4H-chromen-7-yl]oxy]-3-oxobutanoate
CID 70546927
(1S,3aS,4S,6aS)-1,4-bis(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydropentalene-2,5-dione
CID 10364225
(6R,6aS,12bR)-6-(3,4-dimethoxyphenyl)-3,10,11,12-tetramethoxy-6a,12b-dihydro-6H-isochromeno[3,4-c]chromen-8-one
CID 14463108
(3S,3aS,6R,6aR)-3-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
CID 163081076
4-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1,2-dimethoxybenzene
CID 71406141
(2S)-2-(3,4-dimethoxyphenyl)-5,7,8-trimethoxy-2,3-dihydrochromen-4-one
CID 163028727
2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromene
CID 13045742
azane;4-cyclopropyl-1,2-dimethoxybenzene
CID 23170558
4-(3-hydroxy-4-methoxyphenyl)-5,6,7-trimethoxy-3,4-dihydrochromen-2-one
CID 102564866
2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-methyl-3,4-dihydro-2H-chromene
CID 22094936
(3R)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-ol
CID 102352404

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-4H-chromen-3-one?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-4H-chromen-3-one (CID 175541735) is 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-4H-chromen-3-one.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-4H-chromen-3-one?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-4H-chromen-3-one is COc1ccc(C2Oc3cc(OC)c(OC)c(OC)c3CC2=O)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-4H-chromen-3-one?
The InChIKey is ZKAMCZOSMJVKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O7/c1-22-14-7-6-11(8-16(14)23-2)18-13(21)9-12-15(27-18)10-17(24-3)20(26-5)19(12)25-4/h6-8,10,18H,9H2,1-5H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-4H-chromen-3-one?
2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-4H-chromen-3-one has a molecular weight of 374.39 g/mol, XLogP of 2.97, 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)-5,6,7-trimethoxy-4H-chromen-3-one is sourced from PubChem (CID 175541735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).