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-2-methylphenyl)-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-3-(4-hydroxy-3,5-dimethylphenyl)-4-(4-hydroxy-3-methylphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol

C107H117FO22 — CID 162201339

IUPAC6-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-2-methylphenyl)-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-3-(4-hydroxy-3,5-dimethylphenyl)-4-(4-hydroxy-3-methylphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol
SMILESCCc1cc2c(c(C)c1O)OCC(c1cc(C)c(O)c(C)c1)C2c1ccc(O)c(C)c1.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.CCc1cc2c(c(C)c1O)OCC(c1cc(OC)c(O)c(OC)c1)C2c1ccc(O)cc1C
InChIInChI=1S/2C27H30O6.C27H30O4.C26H27FO6/c1-6-16-10-20-24(19-8-7-18(28)9-14(19)2)21(13-33-27(20)15(3)25(16)29)17-11-22(31-4)26(30)23(12-17)32-5;1-6-16-10-19-24(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;1-6-18-12-21-24(19-7-8-23(28)14(2)9-19)22(13-31-27(21)17(5)26(18)30)20-10-15(3)25(29)16(4)11-20;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/h7-12,21,24,28-30H,6,13H2,1-5H3;7-12,20,24,28-30H,6,13H2,1-5H3;7-12,22,24,28-30H,6,13H2,1-5H3;6-11,18,23,28-30H,5,12H2,1-4H3
InChIKeyZRPWKFWZZCVSEM-UHFFFAOYSA-N
MW1774.09 g/mol
LogP21.66
Rot. Bonds18

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-2-methylphenyl)-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-3-(4-hydroxy-3,5-dimethylphenyl)-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-2-methylphenyl)-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-3-(4-hydroxy-3,5-dimethylphenyl)-4-(4-hydroxy-3-methylphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol (PubChem CID 162201339) has the molecular formula C107H117FO22 and a molecular weight of 1774.09 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-2-methylphenyl)-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-3-(4-hydroxy-3,5-dimethylphenyl)-4-(4-hydroxy-3-methylphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol.

Molecular Properties

Compound Name6-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-2-methylphenyl)-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-3-(4-hydroxy-3,5-dimethylphenyl)-4-(4-hydroxy-3-methylphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol
PubChem CID162201339
Molecular FormulaC107H117FO22
Molecular Weight1774.09 g/mol
Exact Mass1772.80
IUPAC Name6-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-2-methylphenyl)-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-3-(4-hydroxy-3,5-dimethylphenyl)-4-(4-hydroxy-3-methylphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol
SMILESCCc1cc2c(c(C)c1O)OCC(c1cc(C)c(O)c(C)c1)C2c1ccc(O)c(C)c1.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.CCc1cc2c(c(C)c1O)OCC(c1cc(OC)c(O)c(OC)c1)C2c1ccc(O)cc1C
InChIInChI=1S/2C27H30O6.C27H30O4.C26H27FO6/c1-6-16-10-20-24(19-8-7-18(28)9-14(19)2)21(13-33-27(20)15(3)25(16)29)17-11-22(31-4)26(30)23(12-17)32-5;1-6-16-10-19-24(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;1-6-18-12-21-24(19-7-8-23(28)14(2)9-19)22(13-31-27(21)17(5)26(18)30)20-10-15(3)25(29)16(4)11-20;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/h7-12,21,24,28-30H,6,13H2,1-5H3;7-12,20,24,28-30H,6,13H2,1-5H3;7-12,22,24,28-30H,6,13H2,1-5H3;6-11,18,23,28-30H,5,12H2,1-4H3
InChIKeyZRPWKFWZZCVSEM-UHFFFAOYSA-N
XLogP21.66
TPSA335.06 Ų
H-Bond Donors12
H-Bond Acceptors22
Rotatable Bonds18
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001774.09
LogP ≤ 521.66
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1022

Analyze 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-2-methylphenyl)-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-3-(4-hydroxy-3,5-dimethylphenyl)-4-(4-hydroxy-3-methylphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol with MolForge

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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-2-methylphenyl)-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-3-(4-hydroxy-3,5-dimethylphenyl)-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-2-methylphenyl)-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-3-(4-hydroxy-3,5-dimethylphenyl)-4-(4-hydroxy-3-methylphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol (CID 162201339) 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-2-methylphenyl)-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-3-(4-hydroxy-3,5-dimethylphenyl)-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-2-methylphenyl)-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-3-(4-hydroxy-3,5-dimethylphenyl)-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-2-methylphenyl)-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-3-(4-hydroxy-3,5-dimethylphenyl)-4-(4-hydroxy-3-methylphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol is CCc1cc2c(c(C)c1O)OCC(c1cc(C)c(O)c(C)c1)C2c1ccc(O)c(C)c1.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.CCc1cc2c(c(C)c1O)OCC(c1cc(OC)c(O)c(OC)c1)C2c1ccc(O)cc1C.
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-2-methylphenyl)-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-3-(4-hydroxy-3,5-dimethylphenyl)-4-(4-hydroxy-3-methylphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol?
The InChIKey is ZRPWKFWZZCVSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H30O6.C27H30O4.C26H27FO6/c1-6-16-10-20-24(19-8-7-18(28)9-14(19)2)21(13-33-27(20)15(3)25(16)29)17-11-22(31-4)26(30)23(12-17)32-5;1-6-16-10-19-24(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;1-6-18-12-21-24(19-7-8-23(28)14(2)9-19)22(13-31-27(21)17(5)26(18)30)20-10-15(3)25(29)16(4)11-20;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/h7-12,21,24,28-30H,6,13H2,1-5H3;7-12,20,24,28-30H,6,13H2,1-5H3;7-12,22,24,28-30H,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-2-methylphenyl)-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-3-(4-hydroxy-3,5-dimethylphenyl)-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-2-methylphenyl)-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-3-(4-hydroxy-3,5-dimethylphenyl)-4-(4-hydroxy-3-methylphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol has a molecular weight of 1774.09 g/mol, XLogP of 21.66, 18 rotatable bonds, 12 hydrogen bond donors, and 22 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-2-methylphenyl)-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-3-(4-hydroxy-3,5-dimethylphenyl)-4-(4-hydroxy-3-methylphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol is sourced from PubChem (CID 162201339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).