6-ethyl-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;6-ethyl-3-(4-hydroxy-3,5-dimethoxyphenyl)-4-(4-hydroxy-3-methylphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol

C53H57FO12 — CID 144898303

About 6-ethyl-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;6-ethyl-3-(4-hydroxy-3,5-dimethoxyphenyl)-4-(4-hydroxy-3-methylphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol

6-ethyl-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;6-ethyl-3-(4-hydroxy-3,5-dimethoxyphenyl)-4-(4-hydroxy-3-methylphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol (PubChem CID 144898303) has the molecular formula C53H57FO12 and a molecular weight of 905.02 g/mol. Its IUPAC name is 6-ethyl-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;6-ethyl-3-(4-hydroxy-3,5-dimethoxyphenyl)-4-(4-hydroxy-3-methylphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol.

Molecular Properties

• Compound Name: 6-ethyl-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;6-ethyl-3-(4-hydroxy-3,5-dimethoxyphenyl)-4-(4-hydroxy-3-methylphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol
• PubChem CID: 144898303
• Molecular Formula: C53H57FO12
• Molecular Weight: 905.02 g/mol
• Exact Mass: 904.38
• IUPAC Name: 6-ethyl-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;6-ethyl-3-(4-hydroxy-3,5-dimethoxyphenyl)-4-(4-hydroxy-3-methylphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol
• SMILES: CCc1cc2c(c(C)c1O)OCC(c1cc(OC)c(O)c(OC)c1)C2c1ccc(O)c(C)c1.CCc1cc2c(c(C)c1O)OCC(c1cc(OC)c(O)c(OC)c1)C2c1ccc(O)c(F)c1
• InChI: InChI=1S/C27H30O6.C26H27FO6/c1-6-16-10-19-24(17-7-8-21(28)14(2)9-17)20(13-33-27(19)15(3)25(16)29)18-11-22(31-4)26(30)23(12-18)32-5;1-5-14-8-17-23(15-6-7-20(28)19(27)9-15)18(12-33-26(17)13(2)24(14)29)16-10-21(31-3)25(30)22(11-16)32-4/h7-12,20,24,28-30H,6,13H2,1-5H3;6-11,18,23,28-30H,5,12H2,1-4H3
• InChIKey: LKKLNEGEXYXQAH-UHFFFAOYSA-N
• XLogP: 10.45
• TPSA: 176.76 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	905.02
LogP ≤ 5	10.45
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;6-ethyl-3-(4-hydroxy-3,5-dimethoxyphenyl)-4-(4-hydroxy-3-methylphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol?

The IUPAC name of 6-ethyl-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;6-ethyl-3-(4-hydroxy-3,5-dimethoxyphenyl)-4-(4-hydroxy-3-methylphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol (CID 144898303) is 6-ethyl-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;6-ethyl-3-(4-hydroxy-3,5-dimethoxyphenyl)-4-(4-hydroxy-3-methylphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol.

What is the SMILES notation for 6-ethyl-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;6-ethyl-3-(4-hydroxy-3,5-dimethoxyphenyl)-4-(4-hydroxy-3-methylphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol?

The canonical SMILES for 6-ethyl-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;6-ethyl-3-(4-hydroxy-3,5-dimethoxyphenyl)-4-(4-hydroxy-3-methylphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol is CCc1cc2c(c(C)c1O)OCC(c1cc(OC)c(O)c(OC)c1)C2c1ccc(O)c(C)c1.CCc1cc2c(c(C)c1O)OCC(c1cc(OC)c(O)c(OC)c1)C2c1ccc(O)c(F)c1.

What is the InChIKey of 6-ethyl-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;6-ethyl-3-(4-hydroxy-3,5-dimethoxyphenyl)-4-(4-hydroxy-3-methylphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol?

The InChIKey is LKKLNEGEXYXQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30O6.C26H27FO6/c1-6-16-10-19-24(17-7-8-21(28)14(2)9-17)20(13-33-27(19)15(3)25(16)29)18-11-22(31-4)26(30)23(12-18)32-5;1-5-14-8-17-23(15-6-7-20(28)19(27)9-15)18(12-33-26(17)13(2)24(14)29)16-10-21(31-3)25(30)22(11-16)32-4/h7-12,20,24,28-30H,6,13H2,1-5H3;6-11,18,23,28-30H,5,12H2,1-4H3.

What are the key properties of 6-ethyl-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;6-ethyl-3-(4-hydroxy-3,5-dimethoxyphenyl)-4-(4-hydroxy-3-methylphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol?

6-ethyl-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;6-ethyl-3-(4-hydroxy-3,5-dimethoxyphenyl)-4-(4-hydroxy-3-methylphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol has a molecular weight of 905.02 g/mol, XLogP of 10.45, 10 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethyl-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;6-ethyl-3-(4-hydroxy-3,5-dimethoxyphenyl)-4-(4-hydroxy-3-methylphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol is sourced from PubChem (CID 144898303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).