1-[3-(2-chloro-4-methoxyphenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3-dibenzofuran-4-ylphenoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3H-indazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3H-indol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-3-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-(trifluoromethyl)phenyl]phenoxy]propan-2-ol

C217H214ClF3N14O21 — CID 157448507

IUPAC1-[3-(2-chloro-4-methoxyphenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3-dibenzofuran-4-ylphenoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3H-indazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3H-indol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-3-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-(trifluoromethyl)phenyl]phenoxy]propan-2-ol
SMILESCOc1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c(Cl)c1.COc1ccc(Cn2cnc3ccc(-c4cccc(OCC(O)CN5CCc6ccccc6C5)c4)cc32)cc1.OC(COc1cccc(-c2ccc3c(c2)CC=N3)c1)CN1CCc2ccccc2C1.OC(COc1cccc(-c2ccc3c(c2)CN=N3)c1)CN1CCc2ccccc2C1.OC(COc1cccc(-c2ccc3c(c2)OCCO3)c1)CN1CCc2ccccc2C1.OC(COc1cccc(-c2cccc(C(F)(F)F)c2)c1)CN1CCc2ccccc2C1.OC(COc1cccc(-c2cccc3c2oc2ccccc23)c1)CN1CCc2ccccc2C1.OC(COc1cccc(-c2cnc3ccccc3c2)c1)CN1CCc2ccccc2C1
InChIInChI=1S/C33H33N3O3.C30H27NO3.C27H26N2O2.C26H26N2O2.C26H27NO4.C25H26ClNO3.C25H24F3NO2.C25H25N3O2/c1-38-30-12-9-24(10-13-30)19-36-23-34-32-14-11-27(18-33(32)36)26-7-4-8-31(17-26)39-22-29(37)21-35-16-15-25-5-2-3-6-28(25)20-35;32-24(19-31-16-15-21-7-1-2-8-23(21)18-31)20-33-25-10-5-9-22(17-25)26-12-6-13-28-27-11-3-4-14-29(27)34-30(26)28;30-25(18-29-13-12-20-6-1-2-8-23(20)17-29)19-31-26-10-5-9-21(15-26)24-14-22-7-3-4-11-27(22)28-16-24;29-24(17-28-13-11-19-4-1-2-5-23(19)16-28)18-30-25-7-3-6-20(15-25)21-8-9-26-22(14-21)10-12-27-26;28-23(17-27-11-10-19-4-1-2-5-22(19)16-27)18-31-24-7-3-6-20(14-24)21-8-9-25-26(15-21)30-13-12-29-25;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;26-25(27,28)22-9-3-7-19(13-22)20-8-4-10-24(14-20)31-17-23(30)16-29-12-11-18-5-1-2-6-21(18)15-29;29-23(16-28-11-10-18-4-1-2-5-21(18)15-28)17-30-24-7-3-6-19(13-24)20-8-9-25-22(12-20)14-26-27-25/h2-14,17-18,23,29,37H,15-16,19-22H2,1H3;1-14,17,24,32H,15-16,18-20H2;1-11,14-16,25,30H,12-13,17-19H2;1-9,12,14-15,24,29H,10-11,13,16-18H2;1-9,14-15,23,28H,10-13,16-18H2;2-10,13-14,21,28H,11-12,15-17H2,1H3;1-10,13-14,23,30H,11-12,15-17H2;1-9,12-13,23,29H,10-11,14-17H2
InChIKeyBSNADMBVWRBIMQ-UHFFFAOYSA-N
MW3446.62 g/mol
LogP39.37
Rot. Bonds52

About 1-[3-(2-chloro-4-methoxyphenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3-dibenzofuran-4-ylphenoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3H-indazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3H-indol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-3-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-(trifluoromethyl)phenyl]phenoxy]propan-2-ol

1-[3-(2-chloro-4-methoxyphenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3-dibenzofuran-4-ylphenoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3H-indazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3H-indol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-3-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-(trifluoromethyl)phenyl]phenoxy]propan-2-ol (PubChem CID 157448507) has the molecular formula C217H214ClF3N14O21 and a molecular weight of 3446.62 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-dibenzofuran-4-ylphenoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3H-indazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3H-indol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-3-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-(trifluoromethyl)phenyl]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-dibenzofuran-4-ylphenoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3H-indazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3H-indol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-3-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-(trifluoromethyl)phenyl]phenoxy]propan-2-ol
PubChem CID157448507
Molecular FormulaC217H214ClF3N14O21
Molecular Weight3446.62 g/mol
Exact Mass3443.57
IUPAC Name1-[3-(2-chloro-4-methoxyphenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3-dibenzofuran-4-ylphenoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3H-indazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3H-indol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-3-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-(trifluoromethyl)phenyl]phenoxy]propan-2-ol
SMILESCOc1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c(Cl)c1.COc1ccc(Cn2cnc3ccc(-c4cccc(OCC(O)CN5CCc6ccccc6C5)c4)cc32)cc1.OC(COc1cccc(-c2ccc3c(c2)CC=N3)c1)CN1CCc2ccccc2C1.OC(COc1cccc(-c2ccc3c(c2)CN=N3)c1)CN1CCc2ccccc2C1.OC(COc1cccc(-c2ccc3c(c2)OCCO3)c1)CN1CCc2ccccc2C1.OC(COc1cccc(-c2cccc(C(F)(F)F)c2)c1)CN1CCc2ccccc2C1.OC(COc1cccc(-c2cccc3c2oc2ccccc23)c1)CN1CCc2ccccc2C1.OC(COc1cccc(-c2cnc3ccccc3c2)c1)CN1CCc2ccccc2C1
InChIInChI=1S/C33H33N3O3.C30H27NO3.C27H26N2O2.C26H26N2O2.C26H27NO4.C25H26ClNO3.C25H24F3NO2.C25H25N3O2/c1-38-30-12-9-24(10-13-30)19-36-23-34-32-14-11-27(18-33(32)36)26-7-4-8-31(17-26)39-22-29(37)21-35-16-15-25-5-2-3-6-28(25)20-35;32-24(19-31-16-15-21-7-1-2-8-23(21)18-31)20-33-25-10-5-9-22(17-25)26-12-6-13-28-27-11-3-4-14-29(27)34-30(26)28;30-25(18-29-13-12-20-6-1-2-8-23(20)17-29)19-31-26-10-5-9-21(15-26)24-14-22-7-3-4-11-27(22)28-16-24;29-24(17-28-13-11-19-4-1-2-5-23(19)16-28)18-30-25-7-3-6-20(15-25)21-8-9-26-22(14-21)10-12-27-26;28-23(17-27-11-10-19-4-1-2-5-22(19)16-27)18-31-24-7-3-6-20(14-24)21-8-9-25-26(15-21)30-13-12-29-25;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;26-25(27,28)22-9-3-7-19(13-22)20-8-4-10-24(14-20)31-17-23(30)16-29-12-11-18-5-1-2-6-21(18)15-29;29-23(16-28-11-10-18-4-1-2-5-21(18)15-28)17-30-24-7-3-6-19(13-24)20-8-9-25-22(12-20)14-26-27-25/h2-14,17-18,23,29,37H,15-16,19-22H2,1H3;1-14,17,24,32H,15-16,18-20H2;1-11,14-16,25,30H,12-13,17-19H2;1-9,12,14-15,24,29H,10-11,13,16-18H2;1-9,14-15,23,28H,10-13,16-18H2;2-10,13-14,21,28H,11-12,15-17H2,1H3;1-10,13-14,23,30H,11-12,15-17H2;1-9,12-13,23,29H,10-11,14-17H2
InChIKeyBSNADMBVWRBIMQ-UHFFFAOYSA-N
XLogP39.37
TPSA379.45 Ų
H-Bond Donors8
H-Bond Acceptors35
Rotatable Bonds52
Heavy Atoms256
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003446.62
LogP ≤ 539.37
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1035

Analyze 1-[3-(2-chloro-4-methoxyphenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3-dibenzofuran-4-ylphenoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3H-indazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3H-indol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-3-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-(trifluoromethyl)phenyl]phenoxy]propan-2-ol with MolForge

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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-dibenzofuran-4-ylphenoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3H-indazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3H-indol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-3-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-(trifluoromethyl)phenyl]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-dibenzofuran-4-ylphenoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3H-indazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3H-indol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-3-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-(trifluoromethyl)phenyl]phenoxy]propan-2-ol (CID 157448507) is 1-[3-(2-chloro-4-methoxyphenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3-dibenzofuran-4-ylphenoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3H-indazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3H-indol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-3-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-(trifluoromethyl)phenyl]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-dibenzofuran-4-ylphenoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3H-indazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3H-indol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-3-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-(trifluoromethyl)phenyl]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-dibenzofuran-4-ylphenoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3H-indazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3H-indol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-3-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-(trifluoromethyl)phenyl]phenoxy]propan-2-ol is COc1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c(Cl)c1.COc1ccc(Cn2cnc3ccc(-c4cccc(OCC(O)CN5CCc6ccccc6C5)c4)cc32)cc1.OC(COc1cccc(-c2ccc3c(c2)CC=N3)c1)CN1CCc2ccccc2C1.OC(COc1cccc(-c2ccc3c(c2)CN=N3)c1)CN1CCc2ccccc2C1.OC(COc1cccc(-c2ccc3c(c2)OCCO3)c1)CN1CCc2ccccc2C1.OC(COc1cccc(-c2cccc(C(F)(F)F)c2)c1)CN1CCc2ccccc2C1.OC(COc1cccc(-c2cccc3c2oc2ccccc23)c1)CN1CCc2ccccc2C1.OC(COc1cccc(-c2cnc3ccccc3c2)c1)CN1CCc2ccccc2C1.
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-dibenzofuran-4-ylphenoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3H-indazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3H-indol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-3-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-(trifluoromethyl)phenyl]phenoxy]propan-2-ol?
The InChIKey is BSNADMBVWRBIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N3O3.C30H27NO3.C27H26N2O2.C26H26N2O2.C26H27NO4.C25H26ClNO3.C25H24F3NO2.C25H25N3O2/c1-38-30-12-9-24(10-13-30)19-36-23-34-32-14-11-27(18-33(32)36)26-7-4-8-31(17-26)39-22-29(37)21-35-16-15-25-5-2-3-6-28(25)20-35;32-24(19-31-16-15-21-7-1-2-8-23(21)18-31)20-33-25-10-5-9-22(17-25)26-12-6-13-28-27-11-3-4-14-29(27)34-30(26)28;30-25(18-29-13-12-20-6-1-2-8-23(20)17-29)19-31-26-10-5-9-21(15-26)24-14-22-7-3-4-11-27(22)28-16-24;29-24(17-28-13-11-19-4-1-2-5-23(19)16-28)18-30-25-7-3-6-20(15-25)21-8-9-26-22(14-21)10-12-27-26;28-23(17-27-11-10-19-4-1-2-5-22(19)16-27)18-31-24-7-3-6-20(14-24)21-8-9-25-26(15-21)30-13-12-29-25;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;26-25(27,28)22-9-3-7-19(13-22)20-8-4-10-24(14-20)31-17-23(30)16-29-12-11-18-5-1-2-6-21(18)15-29;29-23(16-28-11-10-18-4-1-2-5-21(18)15-28)17-30-24-7-3-6-19(13-24)20-8-9-25-22(12-20)14-26-27-25/h2-14,17-18,23,29,37H,15-16,19-22H2,1H3;1-14,17,24,32H,15-16,18-20H2;1-11,14-16,25,30H,12-13,17-19H2;1-9,12,14-15,24,29H,10-11,13,16-18H2;1-9,14-15,23,28H,10-13,16-18H2;2-10,13-14,21,28H,11-12,15-17H2,1H3;1-10,13-14,23,30H,11-12,15-17H2;1-9,12-13,23,29H,10-11,14-17H2.
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-dibenzofuran-4-ylphenoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3H-indazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3H-indol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-3-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-(trifluoromethyl)phenyl]phenoxy]propan-2-ol?
1-[3-(2-chloro-4-methoxyphenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3-dibenzofuran-4-ylphenoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3H-indazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3H-indol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-3-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-(trifluoromethyl)phenyl]phenoxy]propan-2-ol has a molecular weight of 3446.62 g/mol, XLogP of 39.37, 52 rotatable bonds, 8 hydrogen bond donors, and 35 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-dibenzofuran-4-ylphenoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3H-indazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3H-indol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-3-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-(trifluoromethyl)phenyl]phenoxy]propan-2-ol is sourced from PubChem (CID 157448507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).