5-hydroxy-2-phenyl-7-(2,4,6-trimethoxyphenyl)chromen-4-one

C24H20O6 — CID 164524523

IUPAC5-hydroxy-2-phenyl-7-(2,4,6-trimethoxyphenyl)chromen-4-one
SMILESCOc1cc(OC)c(-c2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)c(OC)c1
InChIInChI=1S/C24H20O6/c1-27-16-11-20(28-2)23(21(12-16)29-3)15-9-17(25)24-18(26)13-19(30-22(24)10-15)14-7-5-4-6-8-14/h4-13,25H,1-3H3
InChIKeyXKGXFFLNAJDQLG-UHFFFAOYSA-N
MW404.42 g/mol
LogP4.86
Rot. Bonds5

About 5-hydroxy-2-phenyl-7-(2,4,6-trimethoxyphenyl)chromen-4-one

5-hydroxy-2-phenyl-7-(2,4,6-trimethoxyphenyl)chromen-4-one (PubChem CID 164524523) has the molecular formula C24H20O6 and a molecular weight of 404.42 g/mol. Its IUPAC name is 5-hydroxy-2-phenyl-7-(2,4,6-trimethoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name5-hydroxy-2-phenyl-7-(2,4,6-trimethoxyphenyl)chromen-4-one
PubChem CID164524523
Molecular FormulaC24H20O6
Molecular Weight404.42 g/mol
Exact Mass404.13
IUPAC Name5-hydroxy-2-phenyl-7-(2,4,6-trimethoxyphenyl)chromen-4-one
SMILESCOc1cc(OC)c(-c2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)c(OC)c1
InChIInChI=1S/C24H20O6/c1-27-16-11-20(28-2)23(21(12-16)29-3)15-9-17(25)24-18(26)13-19(30-22(24)10-15)14-7-5-4-6-8-14/h4-13,25H,1-3H3
InChIKeyXKGXFFLNAJDQLG-UHFFFAOYSA-N
XLogP4.86
TPSA78.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-phenyl-7-(2,4,6-trimethoxyphenyl)chromen-4-one?
The IUPAC name of 5-hydroxy-2-phenyl-7-(2,4,6-trimethoxyphenyl)chromen-4-one (CID 164524523) is 5-hydroxy-2-phenyl-7-(2,4,6-trimethoxyphenyl)chromen-4-one.
What is the SMILES notation for 5-hydroxy-2-phenyl-7-(2,4,6-trimethoxyphenyl)chromen-4-one?
The canonical SMILES for 5-hydroxy-2-phenyl-7-(2,4,6-trimethoxyphenyl)chromen-4-one is COc1cc(OC)c(-c2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)c(OC)c1.
What is the InChIKey of 5-hydroxy-2-phenyl-7-(2,4,6-trimethoxyphenyl)chromen-4-one?
The InChIKey is XKGXFFLNAJDQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O6/c1-27-16-11-20(28-2)23(21(12-16)29-3)15-9-17(25)24-18(26)13-19(30-22(24)10-15)14-7-5-4-6-8-14/h4-13,25H,1-3H3.
What are the key properties of 5-hydroxy-2-phenyl-7-(2,4,6-trimethoxyphenyl)chromen-4-one?
5-hydroxy-2-phenyl-7-(2,4,6-trimethoxyphenyl)chromen-4-one has a molecular weight of 404.42 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-phenyl-7-(2,4,6-trimethoxyphenyl)chromen-4-one is sourced from PubChem (CID 164524523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).