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

C100H98ClF5O24 — CID 158177540

IUPAC4-(3-chloro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;4-(3,5-difluoro-4-hydroxyphenyl)-5-fluoro-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)-8-propyl-3,4-dihydro-2H-chromen-7-ol;5-fluoro-3-(4-hydroxy-3,5-dimethoxyphenyl)-4-(4-hydroxy-3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-7-ol
SMILESCCCc1c(O)c(CC)cc2c1OCC(c1cc(OC)c(O)c(OC)c1)C2c1ccc(O)c(F)c1.COc1cc(C2COc3c(ccc(O)c3C)C2c2ccc(O)c(Cl)c2)cc(OC)c1O.COc1cc(C2COc3cc(O)cc(F)c3C2c2cc(C)c(O)c(C)c2)cc(OC)c1O.COc1cc(C2COc3cc(O)cc(F)c3C2c2cc(F)c(O)c(F)c2)cc(OC)c1O
InChIInChI=1S/C28H31FO6.C25H25FO6.C24H23ClO6.C23H19F3O6/c1-5-7-18-26(31)15(6-2)10-19-25(16-8-9-22(30)21(29)11-16)20(14-35-28(18)19)17-12-23(33-3)27(32)24(13-17)34-4;1-12-5-15(6-13(2)24(12)28)22-17(11-32-19-10-16(27)9-18(26)23(19)22)14-7-20(30-3)25(29)21(8-14)31-4;1-12-18(26)7-5-15-22(13-4-6-19(27)17(25)8-13)16(11-31-24(12)15)14-9-20(29-2)23(28)21(10-14)30-3;1-30-18-5-10(6-19(31-2)23(18)29)13-9-32-17-8-12(27)7-14(24)21(17)20(13)11-3-15(25)22(28)16(26)4-11/h8-13,20,25,30-32H,5-7,14H2,1-4H3;5-10,17,22,27-29H,11H2,1-4H3;4-10,16,22,26-28H,11H2,1-3H3;3-8,13,20,27-29H,9H2,1-2H3
InChIKeyFYEIWOHEDGMHJK-UHFFFAOYSA-N
MW1814.30 g/mol
LogP20.30
Rot. Bonds19

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

4-(3-chloro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;4-(3,5-difluoro-4-hydroxyphenyl)-5-fluoro-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)-8-propyl-3,4-dihydro-2H-chromen-7-ol;5-fluoro-3-(4-hydroxy-3,5-dimethoxyphenyl)-4-(4-hydroxy-3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-7-ol (PubChem CID 158177540) has the molecular formula C100H98ClF5O24 and a molecular weight of 1814.30 g/mol. Its IUPAC name is 4-(3-chloro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;4-(3,5-difluoro-4-hydroxyphenyl)-5-fluoro-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)-8-propyl-3,4-dihydro-2H-chromen-7-ol;5-fluoro-3-(4-hydroxy-3,5-dimethoxyphenyl)-4-(4-hydroxy-3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-7-ol.

Molecular Properties

Compound Name4-(3-chloro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;4-(3,5-difluoro-4-hydroxyphenyl)-5-fluoro-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)-8-propyl-3,4-dihydro-2H-chromen-7-ol;5-fluoro-3-(4-hydroxy-3,5-dimethoxyphenyl)-4-(4-hydroxy-3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-7-ol
PubChem CID158177540
Molecular FormulaC100H98ClF5O24
Molecular Weight1814.30 g/mol
Exact Mass1812.61
IUPAC Name4-(3-chloro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;4-(3,5-difluoro-4-hydroxyphenyl)-5-fluoro-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)-8-propyl-3,4-dihydro-2H-chromen-7-ol;5-fluoro-3-(4-hydroxy-3,5-dimethoxyphenyl)-4-(4-hydroxy-3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-7-ol
SMILESCCCc1c(O)c(CC)cc2c1OCC(c1cc(OC)c(O)c(OC)c1)C2c1ccc(O)c(F)c1.COc1cc(C2COc3c(ccc(O)c3C)C2c2ccc(O)c(Cl)c2)cc(OC)c1O.COc1cc(C2COc3cc(O)cc(F)c3C2c2cc(C)c(O)c(C)c2)cc(OC)c1O.COc1cc(C2COc3cc(O)cc(F)c3C2c2cc(F)c(O)c(F)c2)cc(OC)c1O
InChIInChI=1S/C28H31FO6.C25H25FO6.C24H23ClO6.C23H19F3O6/c1-5-7-18-26(31)15(6-2)10-19-25(16-8-9-22(30)21(29)11-16)20(14-35-28(18)19)17-12-23(33-3)27(32)24(13-17)34-4;1-12-5-15(6-13(2)24(12)28)22-17(11-32-19-10-16(27)9-18(26)23(19)22)14-7-20(30-3)25(29)21(8-14)31-4;1-12-18(26)7-5-15-22(13-4-6-19(27)17(25)8-13)16(11-31-24(12)15)14-9-20(29-2)23(28)21(10-14)30-3;1-30-18-5-10(6-19(31-2)23(18)29)13-9-32-17-8-12(27)7-14(24)21(17)20(13)11-3-15(25)22(28)16(26)4-11/h8-13,20,25,30-32H,5-7,14H2,1-4H3;5-10,17,22,27-29H,11H2,1-4H3;4-10,16,22,26-28H,11H2,1-3H3;3-8,13,20,27-29H,9H2,1-2H3
InChIKeyFYEIWOHEDGMHJK-UHFFFAOYSA-N
XLogP20.30
TPSA353.52 Ų
H-Bond Donors12
H-Bond Acceptors24
Rotatable Bonds19
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001814.30
LogP ≤ 520.30
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1024

Analyze 4-(3-chloro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;4-(3,5-difluoro-4-hydroxyphenyl)-5-fluoro-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)-8-propyl-3,4-dihydro-2H-chromen-7-ol;5-fluoro-3-(4-hydroxy-3,5-dimethoxyphenyl)-4-(4-hydroxy-3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-7-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;4-(3,5-difluoro-4-hydroxyphenyl)-5-fluoro-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)-8-propyl-3,4-dihydro-2H-chromen-7-ol;5-fluoro-3-(4-hydroxy-3,5-dimethoxyphenyl)-4-(4-hydroxy-3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-7-ol?
The IUPAC name of 4-(3-chloro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;4-(3,5-difluoro-4-hydroxyphenyl)-5-fluoro-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)-8-propyl-3,4-dihydro-2H-chromen-7-ol;5-fluoro-3-(4-hydroxy-3,5-dimethoxyphenyl)-4-(4-hydroxy-3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-7-ol (CID 158177540) is 4-(3-chloro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;4-(3,5-difluoro-4-hydroxyphenyl)-5-fluoro-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)-8-propyl-3,4-dihydro-2H-chromen-7-ol;5-fluoro-3-(4-hydroxy-3,5-dimethoxyphenyl)-4-(4-hydroxy-3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-7-ol.
What is the SMILES notation for 4-(3-chloro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;4-(3,5-difluoro-4-hydroxyphenyl)-5-fluoro-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)-8-propyl-3,4-dihydro-2H-chromen-7-ol;5-fluoro-3-(4-hydroxy-3,5-dimethoxyphenyl)-4-(4-hydroxy-3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-7-ol?
The canonical SMILES for 4-(3-chloro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;4-(3,5-difluoro-4-hydroxyphenyl)-5-fluoro-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)-8-propyl-3,4-dihydro-2H-chromen-7-ol;5-fluoro-3-(4-hydroxy-3,5-dimethoxyphenyl)-4-(4-hydroxy-3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-7-ol is CCCc1c(O)c(CC)cc2c1OCC(c1cc(OC)c(O)c(OC)c1)C2c1ccc(O)c(F)c1.COc1cc(C2COc3c(ccc(O)c3C)C2c2ccc(O)c(Cl)c2)cc(OC)c1O.COc1cc(C2COc3cc(O)cc(F)c3C2c2cc(C)c(O)c(C)c2)cc(OC)c1O.COc1cc(C2COc3cc(O)cc(F)c3C2c2cc(F)c(O)c(F)c2)cc(OC)c1O.
What is the InChIKey of 4-(3-chloro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;4-(3,5-difluoro-4-hydroxyphenyl)-5-fluoro-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)-8-propyl-3,4-dihydro-2H-chromen-7-ol;5-fluoro-3-(4-hydroxy-3,5-dimethoxyphenyl)-4-(4-hydroxy-3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-7-ol?
The InChIKey is FYEIWOHEDGMHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FO6.C25H25FO6.C24H23ClO6.C23H19F3O6/c1-5-7-18-26(31)15(6-2)10-19-25(16-8-9-22(30)21(29)11-16)20(14-35-28(18)19)17-12-23(33-3)27(32)24(13-17)34-4;1-12-5-15(6-13(2)24(12)28)22-17(11-32-19-10-16(27)9-18(26)23(19)22)14-7-20(30-3)25(29)21(8-14)31-4;1-12-18(26)7-5-15-22(13-4-6-19(27)17(25)8-13)16(11-31-24(12)15)14-9-20(29-2)23(28)21(10-14)30-3;1-30-18-5-10(6-19(31-2)23(18)29)13-9-32-17-8-12(27)7-14(24)21(17)20(13)11-3-15(25)22(28)16(26)4-11/h8-13,20,25,30-32H,5-7,14H2,1-4H3;5-10,17,22,27-29H,11H2,1-4H3;4-10,16,22,26-28H,11H2,1-3H3;3-8,13,20,27-29H,9H2,1-2H3.
What are the key properties of 4-(3-chloro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;4-(3,5-difluoro-4-hydroxyphenyl)-5-fluoro-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)-8-propyl-3,4-dihydro-2H-chromen-7-ol;5-fluoro-3-(4-hydroxy-3,5-dimethoxyphenyl)-4-(4-hydroxy-3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-7-ol?
4-(3-chloro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;4-(3,5-difluoro-4-hydroxyphenyl)-5-fluoro-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)-8-propyl-3,4-dihydro-2H-chromen-7-ol;5-fluoro-3-(4-hydroxy-3,5-dimethoxyphenyl)-4-(4-hydroxy-3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-7-ol has a molecular weight of 1814.30 g/mol, XLogP of 20.30, 19 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;4-(3,5-difluoro-4-hydroxyphenyl)-5-fluoro-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)-8-propyl-3,4-dihydro-2H-chromen-7-ol;5-fluoro-3-(4-hydroxy-3,5-dimethoxyphenyl)-4-(4-hydroxy-3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-7-ol is sourced from PubChem (CID 158177540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).