2-(3,4-dimethoxyphenyl)-5,7,8-trimethoxychromen-4-one

C20H20O7 — CID 632135

IUPAC2-(3,4-dimethoxyphenyl)-5,7,8-trimethoxychromen-4-one
SMILESCOc1ccc(-c2cc(=O)c3c(OC)cc(OC)c(OC)c3o2)cc1OC
InChIInChI=1S/C20H20O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18-16(24-3)10-17(25-4)19(26-5)20(18)27-14/h6-10H,1-5H3
InChIKeyUYCWETIUOAGWIL-UHFFFAOYSA-N
MW372.37 g/mol
LogP3.50
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-5,7,8-trimethoxychromen-4-one

2-(3,4-dimethoxyphenyl)-5,7,8-trimethoxychromen-4-one (PubChem CID 632135) has the molecular formula C20H20O7 and a molecular weight of 372.37 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-5,7,8-trimethoxychromen-4-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-5,7,8-trimethoxychromen-4-one
PubChem CID632135
Molecular FormulaC20H20O7
Molecular Weight372.37 g/mol
Exact Mass372.12
IUPAC Name2-(3,4-dimethoxyphenyl)-5,7,8-trimethoxychromen-4-one
SMILESCOc1ccc(-c2cc(=O)c3c(OC)cc(OC)c(OC)c3o2)cc1OC
InChIInChI=1S/C20H20O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18-16(24-3)10-17(25-4)19(26-5)20(18)27-14/h6-10H,1-5H3
InChIKeyUYCWETIUOAGWIL-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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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-5,7,8-trimethoxychromen-4-one?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-5,7,8-trimethoxychromen-4-one (CID 632135) is 2-(3,4-dimethoxyphenyl)-5,7,8-trimethoxychromen-4-one.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-5,7,8-trimethoxychromen-4-one?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-5,7,8-trimethoxychromen-4-one is COc1ccc(-c2cc(=O)c3c(OC)cc(OC)c(OC)c3o2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-5,7,8-trimethoxychromen-4-one?
The InChIKey is UYCWETIUOAGWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18-16(24-3)10-17(25-4)19(26-5)20(18)27-14/h6-10H,1-5H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-5,7,8-trimethoxychromen-4-one?
2-(3,4-dimethoxyphenyl)-5,7,8-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)-5,7,8-trimethoxychromen-4-one is sourced from PubChem (CID 632135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).