1-(4-cyclohexylphenoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2R)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2S)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(2-cyclopentylethyl)phenoxy]-3-(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[4-[[cyclopentyl(methyl)amino]methyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(1-propan-2-ylpyrazol-3-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(2-propan-2-ylpyrazol-3-yl)phenoxy]propan-2-ol

C197H253N15O17 — CID 162098558

IUPAC1-(4-cyclohexylphenoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2R)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2S)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(2-cyclopentylethyl)phenoxy]-3-(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[4-[[cyclopentyl(methyl)amino]methyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(1-propan-2-ylpyrazol-3-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(2-propan-2-ylpyrazol-3-yl)phenoxy]propan-2-ol
SMILESCC(C)n1ccc(-c2ccc(OCC(O)CN3CCc4ccccc4C3)cc2)n1.CC(C)n1nccc1-c1ccc(OCC(O)CN2CCc3ccccc3C2)cc1.CN(Cc1ccc(OCC(O)CN2CCc3ccccc3C2)cc1)C1CCCC1.COc1cccc2c1CN(CC(O)COc1cccc(CCC3CCCC3)c1)CC2.Cc1nn(-c2ccccc2)c(C)c1COCC(O)CN1CCc2ccccc2C1.OC(COc1ccc(C2CCCCC2)cc1)CN1CCc2ccccc2C1.O[C@@H](COc1cccc(CCC2CCCC2)c1)CN1CCc2ccccc2C1.O[C@H](COc1cccc(CCC2CCCC2)c1)CN1CCc2ccccc2C1
InChIInChI=1S/C26H35NO3.C25H34N2O2.2C25H33NO2.3C24H29N3O2.C24H31NO2/c1-29-26-11-5-9-22-14-15-27(18-25(22)26)17-23(28)19-30-24-10-4-8-21(16-24)13-12-20-6-2-3-7-20;1-26(23-8-4-5-9-23)16-20-10-12-25(13-11-20)29-19-24(28)18-27-15-14-21-6-2-3-7-22(21)17-27;2*27-24(18-26-15-14-22-9-3-4-10-23(22)17-26)19-28-25-11-5-8-21(16-25)13-12-20-6-1-2-7-20;1-18-24(19(2)27(25-18)22-10-4-3-5-11-22)17-29-16-23(28)15-26-13-12-20-8-6-7-9-21(20)14-26;1-18(2)27-24(11-13-25-27)20-7-9-23(10-8-20)29-17-22(28)16-26-14-12-19-5-3-4-6-21(19)15-26;1-18(2)27-14-12-24(25-27)20-7-9-23(10-8-20)29-17-22(28)16-26-13-11-19-5-3-4-6-21(19)15-26;26-23(17-25-15-14-20-8-4-5-9-22(20)16-25)18-27-24-12-10-21(11-13-24)19-6-2-1-3-7-19/h4-5,8-11,16,20,23,28H,2-3,6-7,12-15,17-19H2,1H3;2-3,6-7,10-13,23-24,28H,4-5,8-9,14-19H2,1H3;2*3-5,8-11,16,20,24,27H,1-2,6-7,12-15,17-19H2;3-11,23,28H,12-17H2,1-2H3;3-11,13,18,22,28H,12,14-17H2,1-2H3;3-10,12,14,18,22,28H,11,13,15-17H2,1-2H3;4-5,8-13,19,23,26H,1-3,6-7,14-18H2/t;;2*24-;;;;/m..10..../s1
InChIKeyZEOOIFSXXYIEQB-VZBLMTAGSA-N
MW3103.28 g/mol
LogP33.51
Rot. Bonds60

About 1-(4-cyclohexylphenoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2R)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2S)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(2-cyclopentylethyl)phenoxy]-3-(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[4-[[cyclopentyl(methyl)amino]methyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(1-propan-2-ylpyrazol-3-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(2-propan-2-ylpyrazol-3-yl)phenoxy]propan-2-ol

1-(4-cyclohexylphenoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2R)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2S)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(2-cyclopentylethyl)phenoxy]-3-(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[4-[[cyclopentyl(methyl)amino]methyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(1-propan-2-ylpyrazol-3-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(2-propan-2-ylpyrazol-3-yl)phenoxy]propan-2-ol (PubChem CID 162098558) has the molecular formula C197H253N15O17 and a molecular weight of 3103.28 g/mol. Its IUPAC name is 1-(4-cyclohexylphenoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2R)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2S)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(2-cyclopentylethyl)phenoxy]-3-(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[4-[[cyclopentyl(methyl)amino]methyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(1-propan-2-ylpyrazol-3-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(2-propan-2-ylpyrazol-3-yl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(4-cyclohexylphenoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2R)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2S)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(2-cyclopentylethyl)phenoxy]-3-(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[4-[[cyclopentyl(methyl)amino]methyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(1-propan-2-ylpyrazol-3-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(2-propan-2-ylpyrazol-3-yl)phenoxy]propan-2-ol
PubChem CID162098558
Molecular FormulaC197H253N15O17
Molecular Weight3103.28 g/mol
Exact Mass3100.94
IUPAC Name1-(4-cyclohexylphenoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2R)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2S)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(2-cyclopentylethyl)phenoxy]-3-(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[4-[[cyclopentyl(methyl)amino]methyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(1-propan-2-ylpyrazol-3-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(2-propan-2-ylpyrazol-3-yl)phenoxy]propan-2-ol
SMILESCC(C)n1ccc(-c2ccc(OCC(O)CN3CCc4ccccc4C3)cc2)n1.CC(C)n1nccc1-c1ccc(OCC(O)CN2CCc3ccccc3C2)cc1.CN(Cc1ccc(OCC(O)CN2CCc3ccccc3C2)cc1)C1CCCC1.COc1cccc2c1CN(CC(O)COc1cccc(CCC3CCCC3)c1)CC2.Cc1nn(-c2ccccc2)c(C)c1COCC(O)CN1CCc2ccccc2C1.OC(COc1ccc(C2CCCCC2)cc1)CN1CCc2ccccc2C1.O[C@@H](COc1cccc(CCC2CCCC2)c1)CN1CCc2ccccc2C1.O[C@H](COc1cccc(CCC2CCCC2)c1)CN1CCc2ccccc2C1
InChIInChI=1S/C26H35NO3.C25H34N2O2.2C25H33NO2.3C24H29N3O2.C24H31NO2/c1-29-26-11-5-9-22-14-15-27(18-25(22)26)17-23(28)19-30-24-10-4-8-21(16-24)13-12-20-6-2-3-7-20;1-26(23-8-4-5-9-23)16-20-10-12-25(13-11-20)29-19-24(28)18-27-15-14-21-6-2-3-7-22(21)17-27;2*27-24(18-26-15-14-22-9-3-4-10-23(22)17-26)19-28-25-11-5-8-21(16-25)13-12-20-6-1-2-7-20;1-18-24(19(2)27(25-18)22-10-4-3-5-11-22)17-29-16-23(28)15-26-13-12-20-8-6-7-9-21(20)14-26;1-18(2)27-24(11-13-25-27)20-7-9-23(10-8-20)29-17-22(28)16-26-14-12-19-5-3-4-6-21(19)15-26;1-18(2)27-14-12-24(25-27)20-7-9-23(10-8-20)29-17-22(28)16-26-13-11-19-5-3-4-6-21(19)15-26;26-23(17-25-15-14-20-8-4-5-9-22(20)16-25)18-27-24-12-10-21(11-13-24)19-6-2-1-3-7-19/h4-5,8-11,16,20,23,28H,2-3,6-7,12-15,17-19H2,1H3;2-3,6-7,10-13,23-24,28H,4-5,8-9,14-19H2,1H3;2*3-5,8-11,16,20,24,27H,1-2,6-7,12-15,17-19H2;3-11,23,28H,12-17H2,1-2H3;3-11,13,18,22,28H,12,14-17H2,1-2H3;3-10,12,14,18,22,28H,11,13,15-17H2,1-2H3;4-5,8-13,19,23,26H,1-3,6-7,14-18H2/t;;2*24-;;;;/m..10..../s1
InChIKeyZEOOIFSXXYIEQB-VZBLMTAGSA-N
XLogP33.51
TPSA327.53 Ų
H-Bond Donors8
H-Bond Acceptors32
Rotatable Bonds60
Heavy Atoms229
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003103.28
LogP ≤ 533.51
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1032

Analyze 1-(4-cyclohexylphenoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2R)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2S)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(2-cyclopentylethyl)phenoxy]-3-(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[4-[[cyclopentyl(methyl)amino]methyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(1-propan-2-ylpyrazol-3-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(2-propan-2-ylpyrazol-3-yl)phenoxy]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylphenoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2R)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2S)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(2-cyclopentylethyl)phenoxy]-3-(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[4-[[cyclopentyl(methyl)amino]methyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(1-propan-2-ylpyrazol-3-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(2-propan-2-ylpyrazol-3-yl)phenoxy]propan-2-ol?
The IUPAC name of 1-(4-cyclohexylphenoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2R)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2S)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(2-cyclopentylethyl)phenoxy]-3-(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[4-[[cyclopentyl(methyl)amino]methyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(1-propan-2-ylpyrazol-3-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(2-propan-2-ylpyrazol-3-yl)phenoxy]propan-2-ol (CID 162098558) is 1-(4-cyclohexylphenoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2R)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2S)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(2-cyclopentylethyl)phenoxy]-3-(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[4-[[cyclopentyl(methyl)amino]methyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(1-propan-2-ylpyrazol-3-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(2-propan-2-ylpyrazol-3-yl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-(4-cyclohexylphenoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2R)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2S)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(2-cyclopentylethyl)phenoxy]-3-(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[4-[[cyclopentyl(methyl)amino]methyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(1-propan-2-ylpyrazol-3-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(2-propan-2-ylpyrazol-3-yl)phenoxy]propan-2-ol?
The canonical SMILES for 1-(4-cyclohexylphenoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2R)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2S)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(2-cyclopentylethyl)phenoxy]-3-(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[4-[[cyclopentyl(methyl)amino]methyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(1-propan-2-ylpyrazol-3-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(2-propan-2-ylpyrazol-3-yl)phenoxy]propan-2-ol is CC(C)n1ccc(-c2ccc(OCC(O)CN3CCc4ccccc4C3)cc2)n1.CC(C)n1nccc1-c1ccc(OCC(O)CN2CCc3ccccc3C2)cc1.CN(Cc1ccc(OCC(O)CN2CCc3ccccc3C2)cc1)C1CCCC1.COc1cccc2c1CN(CC(O)COc1cccc(CCC3CCCC3)c1)CC2.Cc1nn(-c2ccccc2)c(C)c1COCC(O)CN1CCc2ccccc2C1.OC(COc1ccc(C2CCCCC2)cc1)CN1CCc2ccccc2C1.O[C@@H](COc1cccc(CCC2CCCC2)c1)CN1CCc2ccccc2C1.O[C@H](COc1cccc(CCC2CCCC2)c1)CN1CCc2ccccc2C1.
What is the InChIKey of 1-(4-cyclohexylphenoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2R)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2S)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(2-cyclopentylethyl)phenoxy]-3-(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[4-[[cyclopentyl(methyl)amino]methyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(1-propan-2-ylpyrazol-3-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(2-propan-2-ylpyrazol-3-yl)phenoxy]propan-2-ol?
The InChIKey is ZEOOIFSXXYIEQB-VZBLMTAGSA-N. The full InChI is InChI=1S/C26H35NO3.C25H34N2O2.2C25H33NO2.3C24H29N3O2.C24H31NO2/c1-29-26-11-5-9-22-14-15-27(18-25(22)26)17-23(28)19-30-24-10-4-8-21(16-24)13-12-20-6-2-3-7-20;1-26(23-8-4-5-9-23)16-20-10-12-25(13-11-20)29-19-24(28)18-27-15-14-21-6-2-3-7-22(21)17-27;2*27-24(18-26-15-14-22-9-3-4-10-23(22)17-26)19-28-25-11-5-8-21(16-25)13-12-20-6-1-2-7-20;1-18-24(19(2)27(25-18)22-10-4-3-5-11-22)17-29-16-23(28)15-26-13-12-20-8-6-7-9-21(20)14-26;1-18(2)27-24(11-13-25-27)20-7-9-23(10-8-20)29-17-22(28)16-26-14-12-19-5-3-4-6-21(19)15-26;1-18(2)27-14-12-24(25-27)20-7-9-23(10-8-20)29-17-22(28)16-26-13-11-19-5-3-4-6-21(19)15-26;26-23(17-25-15-14-20-8-4-5-9-22(20)16-25)18-27-24-12-10-21(11-13-24)19-6-2-1-3-7-19/h4-5,8-11,16,20,23,28H,2-3,6-7,12-15,17-19H2,1H3;2-3,6-7,10-13,23-24,28H,4-5,8-9,14-19H2,1H3;2*3-5,8-11,16,20,24,27H,1-2,6-7,12-15,17-19H2;3-11,23,28H,12-17H2,1-2H3;3-11,13,18,22,28H,12,14-17H2,1-2H3;3-10,12,14,18,22,28H,11,13,15-17H2,1-2H3;4-5,8-13,19,23,26H,1-3,6-7,14-18H2/t;;2*24-;;;;/m..10..../s1.
What are the key properties of 1-(4-cyclohexylphenoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2R)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2S)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(2-cyclopentylethyl)phenoxy]-3-(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[4-[[cyclopentyl(methyl)amino]methyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(1-propan-2-ylpyrazol-3-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(2-propan-2-ylpyrazol-3-yl)phenoxy]propan-2-ol?
1-(4-cyclohexylphenoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2R)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2S)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(2-cyclopentylethyl)phenoxy]-3-(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[4-[[cyclopentyl(methyl)amino]methyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(1-propan-2-ylpyrazol-3-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(2-propan-2-ylpyrazol-3-yl)phenoxy]propan-2-ol has a molecular weight of 3103.28 g/mol, XLogP of 33.51, 60 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylphenoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2R)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2S)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(2-cyclopentylethyl)phenoxy]-3-(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[4-[[cyclopentyl(methyl)amino]methyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(1-propan-2-ylpyrazol-3-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(2-propan-2-ylpyrazol-3-yl)phenoxy]propan-2-ol is sourced from PubChem (CID 162098558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).