1-[3-[2-chloro-5-(1,1-difluoroethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(2-chloro-5-methoxyphenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-3-methylphenyl)phenoxy]propan-2-ol;3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,N-dimethylbenzenesulfonamide;1-[3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methylsulfonylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-phenoxyphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-phenylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-3-ylphenoxy)propan-2-ol;methane

C262H295Cl2F3N12O27S2 — CID 161265347

IUPAC1-[3-[2-chloro-5-(1,1-difluoroethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(2-chloro-5-methoxyphenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-3-methylphenyl)phenoxy]propan-2-ol;3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,N-dimethylbenzenesulfonamide;1-[3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methylsulfonylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-phenoxyphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-phenylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-3-ylphenoxy)propan-2-ol;methane
SMILESC.C.C.C.C.C.C.CC(=O)c1cccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1.CC(F)(F)c1ccc(Cl)c(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1.CN(C)S(=O)(=O)c1cccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1.COc1ccc(Cl)c(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1.CS(=O)(=O)c1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cc1.Cc1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cc1.Cc1cccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1F.OC(COc1cccc(-c2cccc(Oc3ccccc3)c2)c1)CN1CCc2ccccc2C1.OC(COc1cccc(-c2ccccc2)c1)CN1CCc2ccccc2C1.OC(COc1cccc(-c2cccnc2)c1)CN1CCc2ccccc2C1
InChIInChI=1S/C30H29NO3.C26H26ClF2NO2.C26H30N2O4S.C26H27NO3.C25H26ClNO3.C25H26FNO2.C25H27NO4S.C25H27NO2.C24H25NO2.C23H24N2O2.7CH4/c32-27(21-31-17-16-23-8-4-5-9-26(23)20-31)22-33-29-14-6-10-24(18-29)25-11-7-15-30(19-25)34-28-12-2-1-3-13-28;1-26(28,29)21-9-10-25(27)24(14-21)19-7-4-8-23(13-19)32-17-22(31)16-30-12-11-18-5-2-3-6-20(18)15-30;1-27(2)33(30,31)26-12-6-10-22(16-26)21-9-5-11-25(15-21)32-19-24(29)18-28-14-13-20-7-3-4-8-23(20)17-28;1-19(28)21-8-4-9-22(14-21)23-10-5-11-26(15-23)30-18-25(29)17-27-13-12-20-6-2-3-7-24(20)16-27;1-29-22-9-10-25(26)24(14-22)19-7-4-8-23(13-19)30-17-21(28)16-27-12-11-18-5-2-3-6-20(18)15-27;1-18-6-4-11-24(25(18)26)20-9-5-10-23(14-20)29-17-22(28)16-27-13-12-19-7-2-3-8-21(19)15-27;1-31(28,29)25-11-9-20(10-12-25)21-7-4-8-24(15-21)30-18-23(27)17-26-14-13-19-5-2-3-6-22(19)16-26;1-19-9-11-21(12-10-19)22-7-4-8-25(15-22)28-18-24(27)17-26-14-13-20-5-2-3-6-23(20)16-26;26-23(17-25-14-13-20-9-4-5-10-22(20)16-25)18-27-24-12-6-11-21(15-24)19-7-2-1-3-8-19;26-22(16-25-12-10-18-5-1-2-6-21(18)15-25)17-27-23-9-3-7-19(13-23)20-8-4-11-24-14-20;;;;;;;/h1-15,18-19,27,32H,16-17,20-22H2;2-10,13-14,22,31H,11-12,15-17H2,1H3;3-12,15-16,24,29H,13-14,17-19H2,1-2H3;2-11,14-15,25,29H,12-13,16-18H2,1H3;2-10,13-14,21,28H,11-12,15-17H2,1H3;2-11,14,22,28H,12-13,15-17H2,1H3;2-12,15,23,27H,13-14,16-18H2,1H3;2-12,15,24,27H,13-14,16-18H2,1H3;1-12,15,23,26H,13-14,16-18H2;1-9,11,13-14,22,26H,10,12,15-17H2;7*1H4
InChIKeyVDCKKCXIIUMRPQ-UHFFFAOYSA-N
MW4236.33 g/mol
LogP49.20
Rot. Bonds68

About 1-[3-[2-chloro-5-(1,1-difluoroethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(2-chloro-5-methoxyphenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-3-methylphenyl)phenoxy]propan-2-ol;3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,N-dimethylbenzenesulfonamide;1-[3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methylsulfonylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-phenoxyphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-phenylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-3-ylphenoxy)propan-2-ol;methane

1-[3-[2-chloro-5-(1,1-difluoroethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(2-chloro-5-methoxyphenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-3-methylphenyl)phenoxy]propan-2-ol;3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,N-dimethylbenzenesulfonamide;1-[3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methylsulfonylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-phenoxyphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-phenylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-3-ylphenoxy)propan-2-ol;methane (PubChem CID 161265347) has the molecular formula C262H295Cl2F3N12O27S2 and a molecular weight of 4236.33 g/mol. Its IUPAC name is 1-[3-[2-chloro-5-(1,1-difluoroethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(2-chloro-5-methoxyphenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-3-methylphenyl)phenoxy]propan-2-ol;3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,N-dimethylbenzenesulfonamide;1-[3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methylsulfonylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-phenoxyphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-phenylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-3-ylphenoxy)propan-2-ol;methane.

Molecular Properties

Compound Name1-[3-[2-chloro-5-(1,1-difluoroethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(2-chloro-5-methoxyphenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-3-methylphenyl)phenoxy]propan-2-ol;3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,N-dimethylbenzenesulfonamide;1-[3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methylsulfonylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-phenoxyphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-phenylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-3-ylphenoxy)propan-2-ol;methane
PubChem CID161265347
Molecular FormulaC262H295Cl2F3N12O27S2
Molecular Weight4236.33 g/mol
Exact Mass4232.09
IUPAC Name1-[3-[2-chloro-5-(1,1-difluoroethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(2-chloro-5-methoxyphenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-3-methylphenyl)phenoxy]propan-2-ol;3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,N-dimethylbenzenesulfonamide;1-[3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methylsulfonylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-phenoxyphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-phenylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-3-ylphenoxy)propan-2-ol;methane
SMILESC.C.C.C.C.C.C.CC(=O)c1cccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1.CC(F)(F)c1ccc(Cl)c(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1.CN(C)S(=O)(=O)c1cccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1.COc1ccc(Cl)c(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1.CS(=O)(=O)c1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cc1.Cc1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cc1.Cc1cccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1F.OC(COc1cccc(-c2cccc(Oc3ccccc3)c2)c1)CN1CCc2ccccc2C1.OC(COc1cccc(-c2ccccc2)c1)CN1CCc2ccccc2C1.OC(COc1cccc(-c2cccnc2)c1)CN1CCc2ccccc2C1
InChIInChI=1S/C30H29NO3.C26H26ClF2NO2.C26H30N2O4S.C26H27NO3.C25H26ClNO3.C25H26FNO2.C25H27NO4S.C25H27NO2.C24H25NO2.C23H24N2O2.7CH4/c32-27(21-31-17-16-23-8-4-5-9-26(23)20-31)22-33-29-14-6-10-24(18-29)25-11-7-15-30(19-25)34-28-12-2-1-3-13-28;1-26(28,29)21-9-10-25(27)24(14-21)19-7-4-8-23(13-19)32-17-22(31)16-30-12-11-18-5-2-3-6-20(18)15-30;1-27(2)33(30,31)26-12-6-10-22(16-26)21-9-5-11-25(15-21)32-19-24(29)18-28-14-13-20-7-3-4-8-23(20)17-28;1-19(28)21-8-4-9-22(14-21)23-10-5-11-26(15-23)30-18-25(29)17-27-13-12-20-6-2-3-7-24(20)16-27;1-29-22-9-10-25(26)24(14-22)19-7-4-8-23(13-19)30-17-21(28)16-27-12-11-18-5-2-3-6-20(18)15-27;1-18-6-4-11-24(25(18)26)20-9-5-10-23(14-20)29-17-22(28)16-27-13-12-19-7-2-3-8-21(19)15-27;1-31(28,29)25-11-9-20(10-12-25)21-7-4-8-24(15-21)30-18-23(27)17-26-14-13-19-5-2-3-6-22(19)16-26;1-19-9-11-21(12-10-19)22-7-4-8-25(15-22)28-18-24(27)17-26-14-13-20-5-2-3-6-23(20)16-26;26-23(17-25-14-13-20-9-4-5-10-22(20)16-25)18-27-24-12-6-11-21(15-24)19-7-2-1-3-8-19;26-22(16-25-12-10-18-5-1-2-6-21(18)15-25)17-27-23-9-3-7-19(13-23)20-8-4-11-24-14-20;;;;;;;/h1-15,18-19,27,32H,16-17,20-22H2;2-10,13-14,22,31H,11-12,15-17H2,1H3;3-12,15-16,24,29H,13-14,17-19H2,1-2H3;2-11,14-15,25,29H,12-13,16-18H2,1H3;2-10,13-14,21,28H,11-12,15-17H2,1H3;2-11,14,22,28H,12-13,15-17H2,1H3;2-12,15,23,27H,13-14,16-18H2,1H3;2-12,15,24,27H,13-14,16-18H2,1H3;1-12,15,23,26H,13-14,16-18H2;1-9,11,13-14,22,26H,10,12,15-17H2;7*1H4
InChIKeyVDCKKCXIIUMRPQ-UHFFFAOYSA-N
XLogP49.20
TPSA446.94 Ų
H-Bond Donors10
H-Bond Acceptors38
Rotatable Bonds68
Heavy Atoms308
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004236.33
LogP ≤ 549.20
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1038

Analyze 1-[3-[2-chloro-5-(1,1-difluoroethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(2-chloro-5-methoxyphenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-3-methylphenyl)phenoxy]propan-2-ol;3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,N-dimethylbenzenesulfonamide;1-[3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methylsulfonylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-phenoxyphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-phenylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-3-ylphenoxy)propan-2-ol;methane with MolForge

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Related Compounds

bis(6-(1-benzylpiperidin-4-yl)oxy-2H-isoquinolin-1-one);6-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;6-[1-[(3-chloro-5-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;6-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;6-[1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;6-[1-[(3-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;bis(6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one);6-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;6-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one
CID 157733810
1-[3-[2-chloro-4-(1,1-difluoroethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-[3-chloro-5-(1,1-difluoroethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[2-(dimethylamino)pyrimidin-5-yl]phenoxy]propan-2-ol;N-[4-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]methanesulfonamide;[3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]-piperidin-1-ylmethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylsulfonylphenyl)phenoxy]propan-2-ol
CID 159440597
1-[3-[2-chloro-5-(1,1-difluoroethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(2-chloro-5-methoxyphenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,N-dimethylbenzenesulfonamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methylsulfonylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-phenoxyphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-phenylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-3-ylphenoxy)propan-2-ol
CID 162043457

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-chloro-5-(1,1-difluoroethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(2-chloro-5-methoxyphenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-3-methylphenyl)phenoxy]propan-2-ol;3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,N-dimethylbenzenesulfonamide;1-[3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methylsulfonylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-phenoxyphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-phenylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-3-ylphenoxy)propan-2-ol;methane?
The IUPAC name of 1-[3-[2-chloro-5-(1,1-difluoroethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(2-chloro-5-methoxyphenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-3-methylphenyl)phenoxy]propan-2-ol;3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,N-dimethylbenzenesulfonamide;1-[3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methylsulfonylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-phenoxyphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-phenylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-3-ylphenoxy)propan-2-ol;methane (CID 161265347) is 1-[3-[2-chloro-5-(1,1-difluoroethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(2-chloro-5-methoxyphenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-3-methylphenyl)phenoxy]propan-2-ol;3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,N-dimethylbenzenesulfonamide;1-[3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methylsulfonylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-phenoxyphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-phenylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-3-ylphenoxy)propan-2-ol;methane.
What is the SMILES notation for 1-[3-[2-chloro-5-(1,1-difluoroethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(2-chloro-5-methoxyphenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-3-methylphenyl)phenoxy]propan-2-ol;3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,N-dimethylbenzenesulfonamide;1-[3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methylsulfonylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-phenoxyphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-phenylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-3-ylphenoxy)propan-2-ol;methane?
The canonical SMILES for 1-[3-[2-chloro-5-(1,1-difluoroethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(2-chloro-5-methoxyphenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-3-methylphenyl)phenoxy]propan-2-ol;3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,N-dimethylbenzenesulfonamide;1-[3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methylsulfonylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-phenoxyphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-phenylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-3-ylphenoxy)propan-2-ol;methane is C.C.C.C.C.C.C.CC(=O)c1cccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1.CC(F)(F)c1ccc(Cl)c(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1.CN(C)S(=O)(=O)c1cccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1.COc1ccc(Cl)c(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1.CS(=O)(=O)c1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cc1.Cc1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cc1.Cc1cccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1F.OC(COc1cccc(-c2cccc(Oc3ccccc3)c2)c1)CN1CCc2ccccc2C1.OC(COc1cccc(-c2ccccc2)c1)CN1CCc2ccccc2C1.OC(COc1cccc(-c2cccnc2)c1)CN1CCc2ccccc2C1.
What is the InChIKey of 1-[3-[2-chloro-5-(1,1-difluoroethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(2-chloro-5-methoxyphenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-3-methylphenyl)phenoxy]propan-2-ol;3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,N-dimethylbenzenesulfonamide;1-[3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methylsulfonylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-phenoxyphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-phenylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-3-ylphenoxy)propan-2-ol;methane?
The InChIKey is VDCKKCXIIUMRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29NO3.C26H26ClF2NO2.C26H30N2O4S.C26H27NO3.C25H26ClNO3.C25H26FNO2.C25H27NO4S.C25H27NO2.C24H25NO2.C23H24N2O2.7CH4/c32-27(21-31-17-16-23-8-4-5-9-26(23)20-31)22-33-29-14-6-10-24(18-29)25-11-7-15-30(19-25)34-28-12-2-1-3-13-28;1-26(28,29)21-9-10-25(27)24(14-21)19-7-4-8-23(13-19)32-17-22(31)16-30-12-11-18-5-2-3-6-20(18)15-30;1-27(2)33(30,31)26-12-6-10-22(16-26)21-9-5-11-25(15-21)32-19-24(29)18-28-14-13-20-7-3-4-8-23(20)17-28;1-19(28)21-8-4-9-22(14-21)23-10-5-11-26(15-23)30-18-25(29)17-27-13-12-20-6-2-3-7-24(20)16-27;1-29-22-9-10-25(26)24(14-22)19-7-4-8-23(13-19)30-17-21(28)16-27-12-11-18-5-2-3-6-20(18)15-27;1-18-6-4-11-24(25(18)26)20-9-5-10-23(14-20)29-17-22(28)16-27-13-12-19-7-2-3-8-21(19)15-27;1-31(28,29)25-11-9-20(10-12-25)21-7-4-8-24(15-21)30-18-23(27)17-26-14-13-19-5-2-3-6-22(19)16-26;1-19-9-11-21(12-10-19)22-7-4-8-25(15-22)28-18-24(27)17-26-14-13-20-5-2-3-6-23(20)16-26;26-23(17-25-14-13-20-9-4-5-10-22(20)16-25)18-27-24-12-6-11-21(15-24)19-7-2-1-3-8-19;26-22(16-25-12-10-18-5-1-2-6-21(18)15-25)17-27-23-9-3-7-19(13-23)20-8-4-11-24-14-20;;;;;;;/h1-15,18-19,27,32H,16-17,20-22H2;2-10,13-14,22,31H,11-12,15-17H2,1H3;3-12,15-16,24,29H,13-14,17-19H2,1-2H3;2-11,14-15,25,29H,12-13,16-18H2,1H3;2-10,13-14,21,28H,11-12,15-17H2,1H3;2-11,14,22,28H,12-13,15-17H2,1H3;2-12,15,23,27H,13-14,16-18H2,1H3;2-12,15,24,27H,13-14,16-18H2,1H3;1-12,15,23,26H,13-14,16-18H2;1-9,11,13-14,22,26H,10,12,15-17H2;7*1H4.
What are the key properties of 1-[3-[2-chloro-5-(1,1-difluoroethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(2-chloro-5-methoxyphenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-3-methylphenyl)phenoxy]propan-2-ol;3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,N-dimethylbenzenesulfonamide;1-[3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methylsulfonylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-phenoxyphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-phenylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-3-ylphenoxy)propan-2-ol;methane?
1-[3-[2-chloro-5-(1,1-difluoroethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(2-chloro-5-methoxyphenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-3-methylphenyl)phenoxy]propan-2-ol;3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,N-dimethylbenzenesulfonamide;1-[3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methylsulfonylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-phenoxyphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-phenylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-3-ylphenoxy)propan-2-ol;methane has a molecular weight of 4236.33 g/mol, XLogP of 49.20, 68 rotatable bonds, 10 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-chloro-5-(1,1-difluoroethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(2-chloro-5-methoxyphenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-3-methylphenyl)phenoxy]propan-2-ol;3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,N-dimethylbenzenesulfonamide;1-[3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methylsulfonylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-phenoxyphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-phenylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-3-ylphenoxy)propan-2-ol;methane is sourced from PubChem (CID 161265347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).