1-[3-(2-chloro-4-methoxyphenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-[3-(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-(4-methoxy-2-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methoxyphenyl)phenoxy]propan-2-ol;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-(5-methyl-3-pyridinyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(6-methyl-3-pyridinyl)phenoxy]propan-2-ol

C175H188ClF2N9O17 — CID 161410093

IUPAC1-[3-(2-chloro-4-methoxyphenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-[3-(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-(4-methoxy-2-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methoxyphenyl)phenoxy]propan-2-ol;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-(5-methyl-3-pyridinyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(6-methyl-3-pyridinyl)phenoxy]propan-2-ol
SMILESCC(F)(F)c1cccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1.COc1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c(C)c1.COc1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c(Cl)c1.COc1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cc1.Cc1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cc1.Cc1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cn1.Cc1cncc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1
InChIInChI=1S/C26H27F2NO2.C26H29NO3.C25H26ClNO3.C25H27NO3.C25H27NO2.2C24H26N2O2/c1-26(27,28)23-10-4-8-20(14-23)21-9-5-11-25(15-21)31-18-24(30)17-29-13-12-19-6-2-3-7-22(19)16-29;1-19-14-24(29-2)10-11-26(19)21-8-5-9-25(15-21)30-18-23(28)17-27-13-12-20-6-3-4-7-22(20)16-27;1-29-22-9-10-24(25(26)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;1-28-24-11-9-20(10-12-24)21-7-4-8-25(15-21)29-18-23(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;1-18-11-22(14-25-13-18)20-7-4-8-24(12-20)28-17-23(27)16-26-10-9-19-5-2-3-6-21(19)15-26;1-18-9-10-21(14-25-18)20-7-4-8-24(13-20)28-17-23(27)16-26-12-11-19-5-2-3-6-22(19)15-26/h2-11,14-15,24,30H,12-13,16-18H2,1H3;3-11,14-15,23,28H,12-13,16-18H2,1-2H3;2-10,13-14,21,28H,11-12,15-17H2,1H3;2-12,15,23,27H,13-14,16-18H2,1H3;2-12,15,24,27H,13-14,16-18H2,1H3;2-8,11-14,23,27H,9-10,15-17H2,1H3;2-10,13-14,23,27H,11-12,15-17H2,1H3
InChIKeyVVIUAAXIMSCPEK-UHFFFAOYSA-N
MW2762.92 g/mol
LogP30.88
Rot. Bonds46

About 1-[3-(2-chloro-4-methoxyphenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-[3-(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-(4-methoxy-2-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methoxyphenyl)phenoxy]propan-2-ol;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-(5-methyl-3-pyridinyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(6-methyl-3-pyridinyl)phenoxy]propan-2-ol

1-[3-(2-chloro-4-methoxyphenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-[3-(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-(4-methoxy-2-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methoxyphenyl)phenoxy]propan-2-ol;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-(5-methyl-3-pyridinyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(6-methyl-3-pyridinyl)phenoxy]propan-2-ol (PubChem CID 161410093) has the molecular formula C175H188ClF2N9O17 and a molecular weight of 2762.92 g/mol. Its IUPAC name is 1-[3-(2-chloro-4-methoxyphenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-[3-(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-(4-methoxy-2-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methoxyphenyl)phenoxy]propan-2-ol;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-(5-methyl-3-pyridinyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(6-methyl-3-pyridinyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[3-(2-chloro-4-methoxyphenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-[3-(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-(4-methoxy-2-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methoxyphenyl)phenoxy]propan-2-ol;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-(5-methyl-3-pyridinyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(6-methyl-3-pyridinyl)phenoxy]propan-2-ol
PubChem CID161410093
Molecular FormulaC175H188ClF2N9O17
Molecular Weight2762.92 g/mol
Exact Mass2760.38
IUPAC Name1-[3-(2-chloro-4-methoxyphenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-[3-(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-(4-methoxy-2-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methoxyphenyl)phenoxy]propan-2-ol;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-(5-methyl-3-pyridinyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(6-methyl-3-pyridinyl)phenoxy]propan-2-ol
SMILESCC(F)(F)c1cccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1.COc1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c(C)c1.COc1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c(Cl)c1.COc1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cc1.Cc1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cc1.Cc1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cn1.Cc1cncc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1
InChIInChI=1S/C26H27F2NO2.C26H29NO3.C25H26ClNO3.C25H27NO3.C25H27NO2.2C24H26N2O2/c1-26(27,28)23-10-4-8-20(14-23)21-9-5-11-25(15-21)31-18-24(30)17-29-13-12-19-6-2-3-7-22(19)16-29;1-19-14-24(29-2)10-11-26(19)21-8-5-9-25(15-21)30-18-23(28)17-27-13-12-20-6-3-4-7-22(20)16-27;1-29-22-9-10-24(25(26)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;1-28-24-11-9-20(10-12-24)21-7-4-8-25(15-21)29-18-23(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;1-18-11-22(14-25-13-18)20-7-4-8-24(12-20)28-17-23(27)16-26-10-9-19-5-2-3-6-21(19)15-26;1-18-9-10-21(14-25-18)20-7-4-8-24(13-20)28-17-23(27)16-26-12-11-19-5-2-3-6-22(19)15-26/h2-11,14-15,24,30H,12-13,16-18H2,1H3;3-11,14-15,23,28H,12-13,16-18H2,1-2H3;2-10,13-14,21,28H,11-12,15-17H2,1H3;2-12,15,23,27H,13-14,16-18H2,1H3;2-12,15,24,27H,13-14,16-18H2,1H3;2-8,11-14,23,27H,9-10,15-17H2,1H3;2-10,13-14,23,27H,11-12,15-17H2,1H3
InChIKeyVVIUAAXIMSCPEK-UHFFFAOYSA-N
XLogP30.88
TPSA282.37 Ų
H-Bond Donors7
H-Bond Acceptors26
Rotatable Bonds46
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002762.92
LogP ≤ 530.88
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1026

Analyze 1-[3-(2-chloro-4-methoxyphenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-[3-(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-(4-methoxy-2-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methoxyphenyl)phenoxy]propan-2-ol;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-(5-methyl-3-pyridinyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(6-methyl-3-pyridinyl)phenoxy]propan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

1-[3-(3-chloro-5-methoxyphenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)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;bis(1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylphenyl)phenoxy]propan-2-ol);1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-prop-2-ynylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-2-ylphenoxy)propan-2-ol
CID 158493017
4-Chloro-7-(methoxymethyl)-1-propan-2-ylisoquinoline;4-chloro-1-propan-2-ylisoquinoline;4-methoxy-7-(methoxymethyl)-1-propan-2-ylisoquinoline;7-(methoxymethyl)-4-methyl-1-propan-2-ylisoquinoline;7-(methoxymethyl)-1-propan-2-ylisoquinoline;7-(methoxymethyl)-1-propan-2-yl-4-(trifluoromethyl)isoquinoline
CID 161041482
6-Chloro-2,3-dimethylpyridine;4-chloro-2-propan-2-ylpyridine;1,2-difluoro-3,4-dimethylbenzene;1,2-difluoro-4,5-dimethylbenzene;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;bis(1,4-dimethyl-2-propan-2-ylbenzene);bis(2,3-dimethylpyridine);1-fluoro-2,3-dimethylbenzene;tris(4-fluoro-1,2-dimethylbenzene);1-fluoro-3-methyl-2-propan-2-ylbenzene;2-fluoro-6-propan-2-ylpyridine;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;1-methoxy-2-methyl-3-propan-2-ylbenzene;(6-methyl-2-pyridinyl)methanol;2-phenyl-6-propan-2-ylpyridine;2-propan-2-yl-4-(trifluoromethyl)pyridine
CID 161049805
1-[(1S)-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;(2R)-1-[(1R)-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;(2S)-1-[(1R)-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;(2S)-1-[(1S)-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 167558443
1-[(1S)-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(3R)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;(2S)-1-[(1R)-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;(2R)-1-[(1S)-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;(2S)-1-[(1S)-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(3-pyridin-3-yl-1H-isoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 167621507
1-[(3R)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;(2R)-1-[(1S)-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;(2S)-1-[(3R)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;(2R)-1-[(3R)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(3-pyridin-3-yl-1H-isoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 167627066
1-[(3S)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;(2S)-1-[(3S)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;(2R)-1-[(3S)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;(2S)-1-[(3R)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;(2R)-1-[(3R)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 167645840
(2R)-1-[6-[3-chloro-4-[2-chloro-3-(4-fluoro-6-methoxy-5-methyl-2-pyridinyl)phenyl]-2-pyridinyl]-8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol
CID 175513046
1-[3-(2-chlorophenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(3-chlorophenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;2-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzonitrile;4-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzonitrile;3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenol;4-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methoxy-2-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-4-ylphenoxy)propan-2-ol
CID 159276881
1-Chloro-4-propan-2-yl-2-propan-2-yloxybenzene;1-chloro-4-propan-2-yl-2-propoxybenzene;bis(2,4-dimethyl-1-propan-2-ylbenzene);2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;4-ethoxy-2-methyl-1-propan-2-ylbenzene;1-fluoro-4-(2-methylpropoxy)-2-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;2-(2-methylpropoxy)-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;4-(2-methylpropoxy)-2-propan-2-ylpyridine;1-propan-2-yl-4-propan-2-yloxybenzene;2-propan-2-yl-6-propan-2-yloxypyridine
CID 159379321
Tert-butylbenzene;4-tert-butyl-2-[(3-chloro-4,5-dimethylphenyl)methoxy]pyridine;1-tert-butyl-3-fluorobenzene;4-tert-butyl-2-[(4-fluoro-3-methylphenyl)methoxy]pyridine;4-tert-butyl-2-[(3-methoxyphenyl)methoxy]pyridine;1-tert-butyl-3-methylbenzene;bis(4-tert-butyl-2-[(4-methylphenyl)methoxy]pyridine);4-tert-butyl-2-methylpyridine;3-tert-butylpyridine
CID 159508284
4-Tert-butyl-2-[(3-chloro-4,5-dimethylphenyl)methoxy]pyridine;1-tert-butyl-3-fluorobenzene;4-tert-butyl-2-[(4-fluoro-3-methylphenyl)methoxy]pyridine;4-tert-butyl-2-[(3-methoxyphenyl)methoxy]pyridine;1-tert-butyl-3-methylbenzene;bis(4-tert-butyl-2-[(4-methylphenyl)methoxy]pyridine);4-tert-butyl-2-methylpyridine
CID 161023200

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chloro-4-methoxyphenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-[3-(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-(4-methoxy-2-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methoxyphenyl)phenoxy]propan-2-ol;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-(5-methyl-3-pyridinyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(6-methyl-3-pyridinyl)phenoxy]propan-2-ol?
The IUPAC name of 1-[3-(2-chloro-4-methoxyphenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-[3-(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-(4-methoxy-2-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methoxyphenyl)phenoxy]propan-2-ol;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-(5-methyl-3-pyridinyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(6-methyl-3-pyridinyl)phenoxy]propan-2-ol (CID 161410093) is 1-[3-(2-chloro-4-methoxyphenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-[3-(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-(4-methoxy-2-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methoxyphenyl)phenoxy]propan-2-ol;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-(5-methyl-3-pyridinyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(6-methyl-3-pyridinyl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-[3-(2-chloro-4-methoxyphenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-[3-(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-(4-methoxy-2-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methoxyphenyl)phenoxy]propan-2-ol;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-(5-methyl-3-pyridinyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(6-methyl-3-pyridinyl)phenoxy]propan-2-ol?
The canonical SMILES for 1-[3-(2-chloro-4-methoxyphenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-[3-(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-(4-methoxy-2-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methoxyphenyl)phenoxy]propan-2-ol;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-(5-methyl-3-pyridinyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(6-methyl-3-pyridinyl)phenoxy]propan-2-ol is CC(F)(F)c1cccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1.COc1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c(C)c1.COc1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c(Cl)c1.COc1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cc1.Cc1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cc1.Cc1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cn1.Cc1cncc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1.
What is the InChIKey of 1-[3-(2-chloro-4-methoxyphenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-[3-(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-(4-methoxy-2-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methoxyphenyl)phenoxy]propan-2-ol;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-(5-methyl-3-pyridinyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(6-methyl-3-pyridinyl)phenoxy]propan-2-ol?
The InChIKey is VVIUAAXIMSCPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2NO2.C26H29NO3.C25H26ClNO3.C25H27NO3.C25H27NO2.2C24H26N2O2/c1-26(27,28)23-10-4-8-20(14-23)21-9-5-11-25(15-21)31-18-24(30)17-29-13-12-19-6-2-3-7-22(19)16-29;1-19-14-24(29-2)10-11-26(19)21-8-5-9-25(15-21)30-18-23(28)17-27-13-12-20-6-3-4-7-22(20)16-27;1-29-22-9-10-24(25(26)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;1-28-24-11-9-20(10-12-24)21-7-4-8-25(15-21)29-18-23(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;1-18-11-22(14-25-13-18)20-7-4-8-24(12-20)28-17-23(27)16-26-10-9-19-5-2-3-6-21(19)15-26;1-18-9-10-21(14-25-18)20-7-4-8-24(13-20)28-17-23(27)16-26-12-11-19-5-2-3-6-22(19)15-26/h2-11,14-15,24,30H,12-13,16-18H2,1H3;3-11,14-15,23,28H,12-13,16-18H2,1-2H3;2-10,13-14,21,28H,11-12,15-17H2,1H3;2-12,15,23,27H,13-14,16-18H2,1H3;2-12,15,24,27H,13-14,16-18H2,1H3;2-8,11-14,23,27H,9-10,15-17H2,1H3;2-10,13-14,23,27H,11-12,15-17H2,1H3.
What are the key properties of 1-[3-(2-chloro-4-methoxyphenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-[3-(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-(4-methoxy-2-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methoxyphenyl)phenoxy]propan-2-ol;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-(5-methyl-3-pyridinyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(6-methyl-3-pyridinyl)phenoxy]propan-2-ol?
1-[3-(2-chloro-4-methoxyphenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-[3-(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-(4-methoxy-2-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methoxyphenyl)phenoxy]propan-2-ol;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-(5-methyl-3-pyridinyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(6-methyl-3-pyridinyl)phenoxy]propan-2-ol has a molecular weight of 2762.92 g/mol, XLogP of 30.88, 46 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chloro-4-methoxyphenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-[3-(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-(4-methoxy-2-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methoxyphenyl)phenoxy]propan-2-ol;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-(5-methyl-3-pyridinyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(6-methyl-3-pyridinyl)phenoxy]propan-2-ol is sourced from PubChem (CID 161410093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).