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;4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-propyl-3,4-dihydro-2H-chromen-7-ol

C121H115ClF6O30 — CID 158968613

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;4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-propyl-3,4-dihydro-2H-chromen-7-ol
SMILESCCCc1c(O)ccc2c1OCC(c1cc(OC)c(O)c(OC)c1)C2c1ccc(O)c(F)c1.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
InChIInChI=1S/C26H27FO6.C25H25FO6.C24H23FO6.C23H20ClFO6.C23H20F2O6/c1-4-5-16-20(28)9-7-17-24(14-6-8-21(29)19(27)10-14)18(13-33-26(16)17)15-11-22(31-2)25(30)23(12-15)32-3;1-4-13-7-16-21(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/h6-12,18,24,28-30H,4-5,13H2,1-3H3;5-11,17,24,27-29H,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
InChIKeyJNNGPUJVLLDRRD-UHFFFAOYSA-N
MW2198.66 g/mol
LogP23.95
Rot. Bonds23

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;4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-propyl-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;4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-propyl-3,4-dihydro-2H-chromen-7-ol (PubChem CID 158968613) has the molecular formula C121H115ClF6O30 and a molecular weight of 2198.66 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;4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-propyl-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;4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-propyl-3,4-dihydro-2H-chromen-7-ol
PubChem CID158968613
Molecular FormulaC121H115ClF6O30
Molecular Weight2198.66 g/mol
Exact Mass2196.71
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;4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-propyl-3,4-dihydro-2H-chromen-7-ol
SMILESCCCc1c(O)ccc2c1OCC(c1cc(OC)c(O)c(OC)c1)C2c1ccc(O)c(F)c1.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
InChIInChI=1S/C26H27FO6.C25H25FO6.C24H23FO6.C23H20ClFO6.C23H20F2O6/c1-4-5-16-20(28)9-7-17-24(14-6-8-21(29)19(27)10-14)18(13-33-26(16)17)15-11-22(31-2)25(30)23(12-15)32-3;1-4-13-7-16-21(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/h6-12,18,24,28-30H,4-5,13H2,1-3H3;5-11,17,24,27-29H,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
InChIKeyJNNGPUJVLLDRRD-UHFFFAOYSA-N
XLogP23.95
TPSA441.90 Ų
H-Bond Donors15
H-Bond Acceptors30
Rotatable Bonds23
Heavy Atoms158
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002198.66
LogP ≤ 523.95
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1030

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;4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-propyl-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;4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-propyl-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;4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-propyl-3,4-dihydro-2H-chromen-7-ol (CID 158968613) 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;4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-propyl-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;4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-propyl-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;4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-propyl-3,4-dihydro-2H-chromen-7-ol is CCCc1c(O)ccc2c1OCC(c1cc(OC)c(O)c(OC)c1)C2c1ccc(O)c(F)c1.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;4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-propyl-3,4-dihydro-2H-chromen-7-ol?
The InChIKey is JNNGPUJVLLDRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FO6.C25H25FO6.C24H23FO6.C23H20ClFO6.C23H20F2O6/c1-4-5-16-20(28)9-7-17-24(14-6-8-21(29)19(27)10-14)18(13-33-26(16)17)15-11-22(31-2)25(30)23(12-15)32-3;1-4-13-7-16-21(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/h6-12,18,24,28-30H,4-5,13H2,1-3H3;5-11,17,24,27-29H,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;4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-propyl-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;4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-propyl-3,4-dihydro-2H-chromen-7-ol has a molecular weight of 2198.66 g/mol, XLogP of 23.95, 23 rotatable bonds, 15 hydrogen bond donors, and 30 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;4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-propyl-3,4-dihydro-2H-chromen-7-ol is sourced from PubChem (CID 158968613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).