1-[3-(2-chlorophenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-ethynylphenyl)phenoxy]propan-2-ol;2-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzonitrile;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methoxy-2-methylphenyl)phenoxy]propan-2-ol;bis(1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylphenyl)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-pyridin-4-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-3-ylphenoxy)propan-2-ol

C226H233ClN12O19 — CID 162120541

IUPAC1-[3-(2-chlorophenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-ethynylphenyl)phenoxy]propan-2-ol;2-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzonitrile;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methoxy-2-methylphenyl)phenoxy]propan-2-ol;bis(1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylphenyl)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-pyridin-4-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-3-ylphenoxy)propan-2-ol
SMILESC#Cc1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cc1.COc1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c(C)c1.Cc1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cc1.Cc1cccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1.Cc1cccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1.N#Cc1ccccc1-c1cccc(OCC(O)CN2CCc3ccccc3C2)c1.OC(COc1cccc(-c2ccccc2Cl)c1)CN1CCc2ccccc2C1.OC(COc1cccc(-c2ccncc2)c1)CN1CCc2ccccc2C1.OC(COc1cccc(-c2cnc3ccccc3c2)c1)CN1CCc2ccccc2C1
InChIInChI=1S/C27H26N2O2.C26H29NO3.C26H25NO2.C25H24N2O2.3C25H27NO2.C24H24ClNO2.C23H24N2O2/c30-25(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;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;1-2-20-10-12-22(13-11-20)23-8-5-9-26(16-23)29-19-25(28)18-27-15-14-21-6-3-4-7-24(21)17-27;26-15-21-7-3-4-11-25(21)20-9-5-10-24(14-20)29-18-23(28)17-27-13-12-19-6-1-2-8-22(19)16-27;2*1-19-6-4-9-21(14-19)22-10-5-11-25(15-22)28-18-24(27)17-26-13-12-20-7-2-3-8-23(20)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;25-24-11-4-3-10-23(24)19-8-5-9-22(14-19)28-17-21(27)16-26-13-12-18-6-1-2-7-20(18)15-26;26-22(16-25-13-10-18-4-1-2-5-21(18)15-25)17-27-23-7-3-6-20(14-23)19-8-11-24-12-9-19/h1-11,14-16,25,30H,12-13,17-19H2;3-11,14-15,23,28H,12-13,16-18H2,1-2H3;1,3-13,16,25,28H,14-15,17-19H2;1-11,14,23,28H,12-13,16-18H2;2*2-11,14-15,24,27H,12-13,16-18H2,1H3;2-12,15,24,27H,13-14,16-18H2,1H3;1-11,14,21,27H,12-13,15-17H2;1-9,11-12,14,22,26H,10,13,15-17H2
InChIKeyZHIRXXRGNMYXSY-UHFFFAOYSA-N
MW3456.87 g/mol
LogP39.06
Rot. Bonds55

About 1-[3-(2-chlorophenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-ethynylphenyl)phenoxy]propan-2-ol;2-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzonitrile;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methoxy-2-methylphenyl)phenoxy]propan-2-ol;bis(1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylphenyl)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-pyridin-4-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-3-ylphenoxy)propan-2-ol

1-[3-(2-chlorophenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-ethynylphenyl)phenoxy]propan-2-ol;2-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzonitrile;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methoxy-2-methylphenyl)phenoxy]propan-2-ol;bis(1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylphenyl)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-pyridin-4-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-3-ylphenoxy)propan-2-ol (PubChem CID 162120541) has the molecular formula C226H233ClN12O19 and a molecular weight of 3456.87 g/mol. Its IUPAC name is 1-[3-(2-chlorophenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-ethynylphenyl)phenoxy]propan-2-ol;2-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzonitrile;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methoxy-2-methylphenyl)phenoxy]propan-2-ol;bis(1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylphenyl)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-pyridin-4-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-3-ylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[3-(2-chlorophenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-ethynylphenyl)phenoxy]propan-2-ol;2-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzonitrile;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methoxy-2-methylphenyl)phenoxy]propan-2-ol;bis(1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylphenyl)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-pyridin-4-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-3-ylphenoxy)propan-2-ol
PubChem CID162120541
Molecular FormulaC226H233ClN12O19
Molecular Weight3456.87 g/mol
Exact Mass3453.73
IUPAC Name1-[3-(2-chlorophenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-ethynylphenyl)phenoxy]propan-2-ol;2-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzonitrile;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methoxy-2-methylphenyl)phenoxy]propan-2-ol;bis(1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylphenyl)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-pyridin-4-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-3-ylphenoxy)propan-2-ol
SMILESC#Cc1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cc1.COc1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c(C)c1.Cc1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cc1.Cc1cccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1.Cc1cccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1.N#Cc1ccccc1-c1cccc(OCC(O)CN2CCc3ccccc3C2)c1.OC(COc1cccc(-c2ccccc2Cl)c1)CN1CCc2ccccc2C1.OC(COc1cccc(-c2ccncc2)c1)CN1CCc2ccccc2C1.OC(COc1cccc(-c2cnc3ccccc3c2)c1)CN1CCc2ccccc2C1
InChIInChI=1S/C27H26N2O2.C26H29NO3.C26H25NO2.C25H24N2O2.3C25H27NO2.C24H24ClNO2.C23H24N2O2/c30-25(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;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;1-2-20-10-12-22(13-11-20)23-8-5-9-26(16-23)29-19-25(28)18-27-15-14-21-6-3-4-7-24(21)17-27;26-15-21-7-3-4-11-25(21)20-9-5-10-24(14-20)29-18-23(28)17-27-13-12-19-6-1-2-8-22(19)16-27;2*1-19-6-4-9-21(14-19)22-10-5-11-25(15-22)28-18-24(27)17-26-13-12-20-7-2-3-8-23(20)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;25-24-11-4-3-10-23(24)19-8-5-9-22(14-19)28-17-21(27)16-26-13-12-18-6-1-2-7-20(18)15-26;26-22(16-25-13-10-18-4-1-2-5-21(18)15-25)17-27-23-7-3-6-20(14-23)19-8-11-24-12-9-19/h1-11,14-16,25,30H,12-13,17-19H2;3-11,14-15,23,28H,12-13,16-18H2,1-2H3;1,3-13,16,25,28H,14-15,17-19H2;1-11,14,23,28H,12-13,16-18H2;2*2-11,14-15,24,27H,12-13,16-18H2,1H3;2-12,15,24,27H,13-14,16-18H2,1H3;1-11,14,21,27H,12-13,15-17H2;1-9,11-12,14,22,26H,10,13,15-17H2
InChIKeyZHIRXXRGNMYXSY-UHFFFAOYSA-N
XLogP39.06
TPSA353.10 Ų
H-Bond Donors9
H-Bond Acceptors31
Rotatable Bonds55
Heavy Atoms258
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003456.87
LogP ≤ 539.06
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-[3-(2-chlorophenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-ethynylphenyl)phenoxy]propan-2-ol;2-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzonitrile;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methoxy-2-methylphenyl)phenoxy]propan-2-ol;bis(1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylphenyl)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-pyridin-4-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-3-ylphenoxy)propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chlorophenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-ethynylphenyl)phenoxy]propan-2-ol;2-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzonitrile;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methoxy-2-methylphenyl)phenoxy]propan-2-ol;bis(1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylphenyl)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-pyridin-4-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-3-ylphenoxy)propan-2-ol?
The IUPAC name of 1-[3-(2-chlorophenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-ethynylphenyl)phenoxy]propan-2-ol;2-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzonitrile;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methoxy-2-methylphenyl)phenoxy]propan-2-ol;bis(1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylphenyl)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-pyridin-4-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-3-ylphenoxy)propan-2-ol (CID 162120541) is 1-[3-(2-chlorophenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-ethynylphenyl)phenoxy]propan-2-ol;2-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzonitrile;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methoxy-2-methylphenyl)phenoxy]propan-2-ol;bis(1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylphenyl)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-pyridin-4-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-3-ylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[3-(2-chlorophenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-ethynylphenyl)phenoxy]propan-2-ol;2-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzonitrile;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methoxy-2-methylphenyl)phenoxy]propan-2-ol;bis(1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylphenyl)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-pyridin-4-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-3-ylphenoxy)propan-2-ol?
The canonical SMILES for 1-[3-(2-chlorophenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-ethynylphenyl)phenoxy]propan-2-ol;2-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzonitrile;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methoxy-2-methylphenyl)phenoxy]propan-2-ol;bis(1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylphenyl)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-pyridin-4-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-3-ylphenoxy)propan-2-ol is C#Cc1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cc1.COc1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c(C)c1.Cc1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cc1.Cc1cccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1.Cc1cccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1.N#Cc1ccccc1-c1cccc(OCC(O)CN2CCc3ccccc3C2)c1.OC(COc1cccc(-c2ccccc2Cl)c1)CN1CCc2ccccc2C1.OC(COc1cccc(-c2ccncc2)c1)CN1CCc2ccccc2C1.OC(COc1cccc(-c2cnc3ccccc3c2)c1)CN1CCc2ccccc2C1.
What is the InChIKey of 1-[3-(2-chlorophenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-ethynylphenyl)phenoxy]propan-2-ol;2-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzonitrile;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methoxy-2-methylphenyl)phenoxy]propan-2-ol;bis(1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylphenyl)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-pyridin-4-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-3-ylphenoxy)propan-2-ol?
The InChIKey is ZHIRXXRGNMYXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O2.C26H29NO3.C26H25NO2.C25H24N2O2.3C25H27NO2.C24H24ClNO2.C23H24N2O2/c30-25(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;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;1-2-20-10-12-22(13-11-20)23-8-5-9-26(16-23)29-19-25(28)18-27-15-14-21-6-3-4-7-24(21)17-27;26-15-21-7-3-4-11-25(21)20-9-5-10-24(14-20)29-18-23(28)17-27-13-12-19-6-1-2-8-22(19)16-27;2*1-19-6-4-9-21(14-19)22-10-5-11-25(15-22)28-18-24(27)17-26-13-12-20-7-2-3-8-23(20)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;25-24-11-4-3-10-23(24)19-8-5-9-22(14-19)28-17-21(27)16-26-13-12-18-6-1-2-7-20(18)15-26;26-22(16-25-13-10-18-4-1-2-5-21(18)15-25)17-27-23-7-3-6-20(14-23)19-8-11-24-12-9-19/h1-11,14-16,25,30H,12-13,17-19H2;3-11,14-15,23,28H,12-13,16-18H2,1-2H3;1,3-13,16,25,28H,14-15,17-19H2;1-11,14,23,28H,12-13,16-18H2;2*2-11,14-15,24,27H,12-13,16-18H2,1H3;2-12,15,24,27H,13-14,16-18H2,1H3;1-11,14,21,27H,12-13,15-17H2;1-9,11-12,14,22,26H,10,13,15-17H2.
What are the key properties of 1-[3-(2-chlorophenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-ethynylphenyl)phenoxy]propan-2-ol;2-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzonitrile;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methoxy-2-methylphenyl)phenoxy]propan-2-ol;bis(1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylphenyl)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-pyridin-4-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-3-ylphenoxy)propan-2-ol?
1-[3-(2-chlorophenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-ethynylphenyl)phenoxy]propan-2-ol;2-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzonitrile;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methoxy-2-methylphenyl)phenoxy]propan-2-ol;bis(1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylphenyl)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-pyridin-4-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-3-ylphenoxy)propan-2-ol has a molecular weight of 3456.87 g/mol, XLogP of 39.06, 55 rotatable bonds, 9 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chlorophenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-ethynylphenyl)phenoxy]propan-2-ol;2-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzonitrile;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methoxy-2-methylphenyl)phenoxy]propan-2-ol;bis(1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylphenyl)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-pyridin-4-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-3-ylphenoxy)propan-2-ol is sourced from PubChem (CID 162120541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).