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

C95H88ClF5O24 — CID 160637132

IUPAC6-chloro-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;6-ethyl-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;5-fluoro-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-7-ol
SMILESCCc1cc2c(cc1O)OCC(c1cc(OC)c(O)c(OC)c1)C2c1ccc(O)c(F)c1.COc1cc(C2COc3cc(O)c(C)cc3C2c2ccc(O)c(F)c2)cc(OC)c1O.COc1cc(C2COc3cc(O)c(Cl)cc3C2c2ccc(O)c(F)c2)cc(OC)c1O.COc1cc(C2COc3cc(O)cc(F)c3C2c2ccc(O)c(F)c2)cc(OC)c1O
InChIInChI=1S/C25H25FO6.C24H23FO6.C23H20ClFO6.C23H20F2O6/c1-4-13-7-16-21(11-20(13)28)32-12-17(24(16)14-5-6-19(27)18(26)8-14)15-9-22(30-2)25(29)23(10-15)31-3;1-12-6-15-20(10-19(12)27)31-11-16(23(15)13-4-5-18(26)17(25)7-13)14-8-21(29-2)24(28)22(9-14)30-3;1-29-20-6-12(7-21(30-2)23(20)28)14-10-31-19-9-18(27)15(24)8-13(19)22(14)11-3-4-17(26)16(25)5-11;1-29-19-6-12(7-20(30-2)23(19)28)14-10-31-18-9-13(26)8-16(25)22(18)21(14)11-3-4-17(27)15(24)5-11/h5-11,17,24,27-29H,4,12H2,1-3H3;4-10,16,23,26-28H,11H2,1-3H3;3-9,14,22,26-28H,10H2,1-2H3;3-9,14,21,26-28H,10H2,1-2H3
InChIKeyRIRIMTGGXDNJJW-UHFFFAOYSA-N
MW1744.17 g/mol
LogP18.73
Rot. Bonds17

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

6-chloro-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;6-ethyl-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;5-fluoro-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-7-ol (PubChem CID 160637132) has the molecular formula C95H88ClF5O24 and a molecular weight of 1744.17 g/mol. Its IUPAC name is 6-chloro-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;6-ethyl-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;5-fluoro-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-7-ol.

Molecular Properties

Compound Name6-chloro-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;6-ethyl-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;5-fluoro-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-7-ol
PubChem CID160637132
Molecular FormulaC95H88ClF5O24
Molecular Weight1744.17 g/mol
Exact Mass1742.53
IUPAC Name6-chloro-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;6-ethyl-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;5-fluoro-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-7-ol
SMILESCCc1cc2c(cc1O)OCC(c1cc(OC)c(O)c(OC)c1)C2c1ccc(O)c(F)c1.COc1cc(C2COc3cc(O)c(C)cc3C2c2ccc(O)c(F)c2)cc(OC)c1O.COc1cc(C2COc3cc(O)c(Cl)cc3C2c2ccc(O)c(F)c2)cc(OC)c1O.COc1cc(C2COc3cc(O)cc(F)c3C2c2ccc(O)c(F)c2)cc(OC)c1O
InChIInChI=1S/C25H25FO6.C24H23FO6.C23H20ClFO6.C23H20F2O6/c1-4-13-7-16-21(11-20(13)28)32-12-17(24(16)14-5-6-19(27)18(26)8-14)15-9-22(30-2)25(29)23(10-15)31-3;1-12-6-15-20(10-19(12)27)31-11-16(23(15)13-4-5-18(26)17(25)7-13)14-8-21(29-2)24(28)22(9-14)30-3;1-29-20-6-12(7-21(30-2)23(20)28)14-10-31-19-9-18(27)15(24)8-13(19)22(14)11-3-4-17(26)16(25)5-11;1-29-19-6-12(7-20(30-2)23(19)28)14-10-31-18-9-13(26)8-16(25)22(18)21(14)11-3-4-17(27)15(24)5-11/h5-11,17,24,27-29H,4,12H2,1-3H3;4-10,16,23,26-28H,11H2,1-3H3;3-9,14,22,26-28H,10H2,1-2H3;3-9,14,21,26-28H,10H2,1-2H3
InChIKeyRIRIMTGGXDNJJW-UHFFFAOYSA-N
XLogP18.73
TPSA353.52 Ų
H-Bond Donors12
H-Bond Acceptors24
Rotatable Bonds17
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001744.17
LogP ≤ 518.73
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1024

Analyze 6-chloro-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;6-ethyl-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;5-fluoro-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-7-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;6-ethyl-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;5-fluoro-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-7-ol?
The IUPAC name of 6-chloro-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;6-ethyl-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;5-fluoro-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-7-ol (CID 160637132) is 6-chloro-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;6-ethyl-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;5-fluoro-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-7-ol.
What is the SMILES notation for 6-chloro-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;6-ethyl-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;5-fluoro-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-7-ol?
The canonical SMILES for 6-chloro-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;6-ethyl-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;5-fluoro-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-7-ol is CCc1cc2c(cc1O)OCC(c1cc(OC)c(O)c(OC)c1)C2c1ccc(O)c(F)c1.COc1cc(C2COc3cc(O)c(C)cc3C2c2ccc(O)c(F)c2)cc(OC)c1O.COc1cc(C2COc3cc(O)c(Cl)cc3C2c2ccc(O)c(F)c2)cc(OC)c1O.COc1cc(C2COc3cc(O)cc(F)c3C2c2ccc(O)c(F)c2)cc(OC)c1O.
What is the InChIKey of 6-chloro-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;6-ethyl-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;5-fluoro-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-7-ol?
The InChIKey is RIRIMTGGXDNJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FO6.C24H23FO6.C23H20ClFO6.C23H20F2O6/c1-4-13-7-16-21(11-20(13)28)32-12-17(24(16)14-5-6-19(27)18(26)8-14)15-9-22(30-2)25(29)23(10-15)31-3;1-12-6-15-20(10-19(12)27)31-11-16(23(15)13-4-5-18(26)17(25)7-13)14-8-21(29-2)24(28)22(9-14)30-3;1-29-20-6-12(7-21(30-2)23(20)28)14-10-31-19-9-18(27)15(24)8-13(19)22(14)11-3-4-17(26)16(25)5-11;1-29-19-6-12(7-20(30-2)23(19)28)14-10-31-18-9-13(26)8-16(25)22(18)21(14)11-3-4-17(27)15(24)5-11/h5-11,17,24,27-29H,4,12H2,1-3H3;4-10,16,23,26-28H,11H2,1-3H3;3-9,14,22,26-28H,10H2,1-2H3;3-9,14,21,26-28H,10H2,1-2H3.
What are the key properties of 6-chloro-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;6-ethyl-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;5-fluoro-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-7-ol?
6-chloro-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;6-ethyl-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;5-fluoro-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-7-ol has a molecular weight of 1744.17 g/mol, XLogP of 18.73, 17 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;6-ethyl-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;5-fluoro-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-7-ol is sourced from PubChem (CID 160637132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).