About 4-bromo-1-chloro-2-[(4-phenylmethoxyphenyl)methyl]benzene;4-[(5-bromo-2-chlorophenyl)methyl]phenol;(1S,2S,3S,4R,5S)-5-[4-chloro-3-[[4-(2,2-difluoroethoxy)phenyl]methyl]phenyl]-1-(2-hydroxypropan-2-yl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(2S,3R,4S,5S,6R)-2-[4-chloro-3-[(4-phenylmethoxyphenyl)methyl]phenyl]-6-ethyl-2-methoxyoxane-3,4,5-triol;(2S,3R,4S,5R,6R)-2-[4-chloro-3-[(4-phenylmethoxyphenyl)methyl]phenyl]-6-ethyl-5-methyl-3,4-bis(trimethylsilyloxy)oxan-2-ol;(2S,3R,4S,5S,6R)-2-[4-chloro-3-[(4-phenylmethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol;2,2-difluoroethanol;2,2-difluoroethyl 4-methylbenzenesulfonate
4-bromo-1-chloro-2-[(4-phenylmethoxyphenyl)methyl]benzene;4-[(5-bromo-2-chlorophenyl)methyl]phenol;(1S,2S,3S,4R,5S)-5-[4-chloro-3-[[4-(2,2-difluoroethoxy)phenyl]methyl]phenyl]-1-(2-hydroxypropan-2-yl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(2S,3R,4S,5S,6R)-2-[4-chloro-3-[(4-phenylmethoxyphenyl)methyl]phenyl]-6-ethyl-2-methoxyoxane-3,4,5-triol;(2S,3R,4S,5R,6R)-2-[4-chloro-3-[(4-phenylmethoxyphenyl)methyl]phenyl]-6-ethyl-5-methyl-3,4-bis(trimethylsilyloxy)oxan-2-ol;(2S,3R,4S,5S,6R)-2-[4-chloro-3-[(4-phenylmethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol;2,2-difluoroethanol;2,2-difluoroethyl 4-methylbenzenesulfonate (PubChem CID 161324112) has the molecular formula C157H174Br2Cl6F6O31SSi2
and a molecular weight of 3131.84 g/mol. Its IUPAC name is 4-bromo-1-chloro-2-[(4-phenylmethoxyphenyl)methyl]benzene;4-[(5-bromo-2-chlorophenyl)methyl]phenol;(1S,2S,3S,4R,5S)-5-[4-chloro-3-[[4-(2,2-difluoroethoxy)phenyl]methyl]phenyl]-1-(2-hydroxypropan-2-yl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(2S,3R,4S,5S,6R)-2-[4-chloro-3-[(4-phenylmethoxyphenyl)methyl]phenyl]-6-ethyl-2-methoxyoxane-3,4,5-triol;(2S,3R,4S,5R,6R)-2-[4-chloro-3-[(4-phenylmethoxyphenyl)methyl]phenyl]-6-ethyl-5-methyl-3,4-bis(trimethylsilyloxy)oxan-2-ol;(2S,3R,4S,5S,6R)-2-[4-chloro-3-[(4-phenylmethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol;2,2-difluoroethanol;2,2-difluoroethyl 4-methylbenzenesulfonate.
Frequently Asked Questions
What is the IUPAC name of 4-bromo-1-chloro-2-[(4-phenylmethoxyphenyl)methyl]benzene;4-[(5-bromo-2-chlorophenyl)methyl]phenol;(1S,2S,3S,4R,5S)-5-[4-chloro-3-[[4-(2,2-difluoroethoxy)phenyl]methyl]phenyl]-1-(2-hydroxypropan-2-yl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(2S,3R,4S,5S,6R)-2-[4-chloro-3-[(4-phenylmethoxyphenyl)methyl]phenyl]-6-ethyl-2-methoxyoxane-3,4,5-triol;(2S,3R,4S,5R,6R)-2-[4-chloro-3-[(4-phenylmethoxyphenyl)methyl]phenyl]-6-ethyl-5-methyl-3,4-bis(trimethylsilyloxy)oxan-2-ol;(2S,3R,4S,5S,6R)-2-[4-chloro-3-[(4-phenylmethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol;2,2-difluoroethanol;2,2-difluoroethyl 4-methylbenzenesulfonate?
The IUPAC name of 4-bromo-1-chloro-2-[(4-phenylmethoxyphenyl)methyl]benzene;4-[(5-bromo-2-chlorophenyl)methyl]phenol;(1S,2S,3S,4R,5S)-5-[4-chloro-3-[[4-(2,2-difluoroethoxy)phenyl]methyl]phenyl]-1-(2-hydroxypropan-2-yl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(2S,3R,4S,5S,6R)-2-[4-chloro-3-[(4-phenylmethoxyphenyl)methyl]phenyl]-6-ethyl-2-methoxyoxane-3,4,5-triol;(2S,3R,4S,5R,6R)-2-[4-chloro-3-[(4-phenylmethoxyphenyl)methyl]phenyl]-6-ethyl-5-methyl-3,4-bis(trimethylsilyloxy)oxan-2-ol;(2S,3R,4S,5S,6R)-2-[4-chloro-3-[(4-phenylmethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol;2,2-difluoroethanol;2,2-difluoroethyl 4-methylbenzenesulfonate (CID 161324112) is 4-bromo-1-chloro-2-[(4-phenylmethoxyphenyl)methyl]benzene;4-[(5-bromo-2-chlorophenyl)methyl]phenol;(1S,2S,3S,4R,5S)-5-[4-chloro-3-[[4-(2,2-difluoroethoxy)phenyl]methyl]phenyl]-1-(2-hydroxypropan-2-yl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(2S,3R,4S,5S,6R)-2-[4-chloro-3-[(4-phenylmethoxyphenyl)methyl]phenyl]-6-ethyl-2-methoxyoxane-3,4,5-triol;(2S,3R,4S,5R,6R)-2-[4-chloro-3-[(4-phenylmethoxyphenyl)methyl]phenyl]-6-ethyl-5-methyl-3,4-bis(trimethylsilyloxy)oxan-2-ol;(2S,3R,4S,5S,6R)-2-[4-chloro-3-[(4-phenylmethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol;2,2-difluoroethanol;2,2-difluoroethyl 4-methylbenzenesulfonate.
What is the SMILES notation for 4-bromo-1-chloro-2-[(4-phenylmethoxyphenyl)methyl]benzene;4-[(5-bromo-2-chlorophenyl)methyl]phenol;(1S,2S,3S,4R,5S)-5-[4-chloro-3-[[4-(2,2-difluoroethoxy)phenyl]methyl]phenyl]-1-(2-hydroxypropan-2-yl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(2S,3R,4S,5S,6R)-2-[4-chloro-3-[(4-phenylmethoxyphenyl)methyl]phenyl]-6-ethyl-2-methoxyoxane-3,4,5-triol;(2S,3R,4S,5R,6R)-2-[4-chloro-3-[(4-phenylmethoxyphenyl)methyl]phenyl]-6-ethyl-5-methyl-3,4-bis(trimethylsilyloxy)oxan-2-ol;(2S,3R,4S,5S,6R)-2-[4-chloro-3-[(4-phenylmethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol;2,2-difluoroethanol;2,2-difluoroethyl 4-methylbenzenesulfonate?
The canonical SMILES for 4-bromo-1-chloro-2-[(4-phenylmethoxyphenyl)methyl]benzene;4-[(5-bromo-2-chlorophenyl)methyl]phenol;(1S,2S,3S,4R,5S)-5-[4-chloro-3-[[4-(2,2-difluoroethoxy)phenyl]methyl]phenyl]-1-(2-hydroxypropan-2-yl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(2S,3R,4S,5S,6R)-2-[4-chloro-3-[(4-phenylmethoxyphenyl)methyl]phenyl]-6-ethyl-2-methoxyoxane-3,4,5-triol;(2S,3R,4S,5R,6R)-2-[4-chloro-3-[(4-phenylmethoxyphenyl)methyl]phenyl]-6-ethyl-5-methyl-3,4-bis(trimethylsilyloxy)oxan-2-ol;(2S,3R,4S,5S,6R)-2-[4-chloro-3-[(4-phenylmethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol;2,2-difluoroethanol;2,2-difluoroethyl 4-methylbenzenesulfonate is CC(C)(O)[C@@]12CO[C@@](c3ccc(Cl)c(Cc4ccc(OCC(F)F)cc4)c3)(O1)[C@H](O)[C@@H](O)[C@@H]2O.CC[C@H]1O[C@@](O)(c2ccc(Cl)c(Cc3ccc(OCc4ccccc4)cc3)c2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1C.CC[C@H]1O[C@@](OC)(c2ccc(Cl)c(Cc3ccc(OCc4ccccc4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O.CO[C@@]1(c2ccc(Cl)c(Cc3ccc(OCc4ccccc4)cc3)c2)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.Cc1ccc(S(=O)(=O)OCC(F)F)cc1.Clc1ccc(Br)cc1Cc1ccc(OCc2ccccc2)cc1.OCC(F)F.Oc1ccc(Cc2cc(Br)ccc2Cl)cc1.
What is the InChIKey of 4-bromo-1-chloro-2-[(4-phenylmethoxyphenyl)methyl]benzene;4-[(5-bromo-2-chlorophenyl)methyl]phenol;(1S,2S,3S,4R,5S)-5-[4-chloro-3-[[4-(2,2-difluoroethoxy)phenyl]methyl]phenyl]-1-(2-hydroxypropan-2-yl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(2S,3R,4S,5S,6R)-2-[4-chloro-3-[(4-phenylmethoxyphenyl)methyl]phenyl]-6-ethyl-2-methoxyoxane-3,4,5-triol;(2S,3R,4S,5R,6R)-2-[4-chloro-3-[(4-phenylmethoxyphenyl)methyl]phenyl]-6-ethyl-5-methyl-3,4-bis(trimethylsilyloxy)oxan-2-ol;(2S,3R,4S,5S,6R)-2-[4-chloro-3-[(4-phenylmethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol;2,2-difluoroethanol;2,2-difluoroethyl 4-methylbenzenesulfonate?
The InChIKey is VKNPEBSKFQJKCK-QPYVPWOYSA-N. The full InChI is InChI=1S/C34H47ClO5Si2.C28H31ClO6.C27H29ClO7.C24H27ClF2O7.C20H16BrClO.C13H10BrClO.C9H10F2O3S.C2H4F2O/c1-9-31-24(2)32(39-41(3,4)5)33(40-42(6,7)8)34(36,38-31)28-17-20-30(35)27(22-28)21-25-15-18-29(19-16-25)37-23-26-13-11-10-12-14-26;1-3-24-25(30)26(31)27(32)28(33-2,35-24)21-11-14-23(29)20(16-21)15-18-9-12-22(13-10-18)34-17-19-7-5-4-6-8-19;1-33-27(26(32)25(31)24(30)23(15-29)35-27)20-9-12-22(28)19(14-20)13-17-7-10-21(11-8-17)34-16-18-5-3-2-4-6-18;1-22(2,31)23-12-33-24(34-23,21(30)19(28)20(23)29)15-5-8-17(25)14(10-15)9-13-3-6-16(7-4-13)32-11-18(26)27;21-18-8-11-20(22)17(13-18)12-15-6-9-19(10-7-15)23-14-16-4-2-1-3-5-16;14-11-3-6-13(15)10(8-11)7-9-1-4-12(16)5-2-9;1-7-2-4-8(5-3-7)15(12,13)14-6-9(10)11;3-2(4)1-5/h10-20,22,24,31-33,36H,9,21,23H2,1-8H3;4-14,16,24-27,30-32H,3,15,17H2,1-2H3;2-12,14,23-26,29-32H,13,15-16H2,1H3;3-8,10,18-21,28-31H,9,11-12H2,1-2H3;1-11,13H,12,14H2;1-6,8,16H,7H2;2-5,9H,6H2,1H3;2,5H,1H2/t24-,31-,32+,33-,34+;24-,25-,26+,27-,28+;23-,24-,25+,26-,27+;19-,20-,21+,23-,24-;;;;/m1110..../s1.
What are the key properties of 4-bromo-1-chloro-2-[(4-phenylmethoxyphenyl)methyl]benzene;4-[(5-bromo-2-chlorophenyl)methyl]phenol;(1S,2S,3S,4R,5S)-5-[4-chloro-3-[[4-(2,2-difluoroethoxy)phenyl]methyl]phenyl]-1-(2-hydroxypropan-2-yl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(2S,3R,4S,5S,6R)-2-[4-chloro-3-[(4-phenylmethoxyphenyl)methyl]phenyl]-6-ethyl-2-methoxyoxane-3,4,5-triol;(2S,3R,4S,5R,6R)-2-[4-chloro-3-[(4-phenylmethoxyphenyl)methyl]phenyl]-6-ethyl-5-methyl-3,4-bis(trimethylsilyloxy)oxan-2-ol;(2S,3R,4S,5S,6R)-2-[4-chloro-3-[(4-phenylmethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol;2,2-difluoroethanol;2,2-difluoroethyl 4-methylbenzenesulfonate?
4-bromo-1-chloro-2-[(4-phenylmethoxyphenyl)methyl]benzene;4-[(5-bromo-2-chlorophenyl)methyl]phenol;(1S,2S,3S,4R,5S)-5-[4-chloro-3-[[4-(2,2-difluoroethoxy)phenyl]methyl]phenyl]-1-(2-hydroxypropan-2-yl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(2S,3R,4S,5S,6R)-2-[4-chloro-3-[(4-phenylmethoxyphenyl)methyl]phenyl]-6-ethyl-2-methoxyoxane-3,4,5-triol;(2S,3R,4S,5R,6R)-2-[4-chloro-3-[(4-phenylmethoxyphenyl)methyl]phenyl]-6-ethyl-5-methyl-3,4-bis(trimethylsilyloxy)oxan-2-ol;(2S,3R,4S,5S,6R)-2-[4-chloro-3-[(4-phenylmethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol;2,2-difluoroethanol;2,2-difluoroethyl 4-methylbenzenesulfonate has a molecular weight of 3131.84 g/mol, XLogP of 30.78, 46 rotatable bonds, 14 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-chloro-2-[(4-phenylmethoxyphenyl)methyl]benzene;4-[(5-bromo-2-chlorophenyl)methyl]phenol;(1S,2S,3S,4R,5S)-5-[4-chloro-3-[[4-(2,2-difluoroethoxy)phenyl]methyl]phenyl]-1-(2-hydroxypropan-2-yl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(2S,3R,4S,5S,6R)-2-[4-chloro-3-[(4-phenylmethoxyphenyl)methyl]phenyl]-6-ethyl-2-methoxyoxane-3,4,5-triol;(2S,3R,4S,5R,6R)-2-[4-chloro-3-[(4-phenylmethoxyphenyl)methyl]phenyl]-6-ethyl-5-methyl-3,4-bis(trimethylsilyloxy)oxan-2-ol;(2S,3R,4S,5S,6R)-2-[4-chloro-3-[(4-phenylmethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol;2,2-difluoroethanol;2,2-difluoroethyl 4-methylbenzenesulfonate is sourced from PubChem (CID 161324112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).