1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-ethylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-ethylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-fluoro-4-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methoxyphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methoxyphenyl)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;methane

C229H260FN11O21 — CID 162144118

IUPAC1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-ethylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-ethylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-fluoro-4-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methoxyphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methoxyphenyl)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;methane
SMILESC.C.C.C.CCc1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cc1.CCc1cccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1.COc1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cc1.COc1cccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1.COc1ccccc1-c1cccc(OCC(O)CN2CCc3ccccc3C2)c1.Cc1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cc1.Cc1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cc1F.Cc1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cn1.Cc1cncc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1
InChIInChI=1S/2C26H29NO2.C25H26FNO2.3C25H27NO3.C25H27NO2.2C24H26N2O2.4CH4/c1-2-20-7-5-10-22(15-20)23-11-6-12-26(16-23)29-19-25(28)18-27-14-13-21-8-3-4-9-24(21)17-27;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;1-18-9-10-21(14-25(18)26)20-7-4-8-24(13-20)29-17-23(28)16-27-12-11-19-5-2-3-6-22(19)15-27;1-28-24-10-4-8-20(14-24)21-9-5-11-25(15-21)29-18-23(27)17-26-13-12-19-6-2-3-7-22(19)16-26;1-28-25-12-5-4-11-24(25)20-9-6-10-23(15-20)29-18-22(27)17-26-14-13-19-7-2-3-8-21(19)16-26;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;;;;/h3-12,15-16,25,28H,2,13-14,17-19H2,1H3;3-13,16,25,28H,2,14-15,17-19H2,1H3;2-10,13-14,23,28H,11-12,15-17H2,1H3;2-11,14-15,23,27H,12-13,16-18H2,1H3;2-12,15,22,27H,13-14,16-18H2,1H3;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;4*1H4
InChIKeyZKIALIZGWKKFMY-UHFFFAOYSA-N
MW3521.65 g/mol
LogP41.22
Rot. Bonds59

About 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-ethylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-ethylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-fluoro-4-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methoxyphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methoxyphenyl)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;methane

1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-ethylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-ethylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-fluoro-4-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methoxyphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methoxyphenyl)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;methane (PubChem CID 162144118) has the molecular formula C229H260FN11O21 and a molecular weight of 3521.65 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-ethylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-ethylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-fluoro-4-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methoxyphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methoxyphenyl)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;methane.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-ethylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-ethylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-fluoro-4-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methoxyphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methoxyphenyl)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;methane
PubChem CID162144118
Molecular FormulaC229H260FN11O21
Molecular Weight3521.65 g/mol
Exact Mass3518.96
IUPAC Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-ethylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-ethylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-fluoro-4-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methoxyphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methoxyphenyl)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;methane
SMILESC.C.C.C.CCc1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cc1.CCc1cccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1.COc1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cc1.COc1cccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1.COc1ccccc1-c1cccc(OCC(O)CN2CCc3ccccc3C2)c1.Cc1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cc1.Cc1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cc1F.Cc1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cn1.Cc1cncc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1
InChIInChI=1S/2C26H29NO2.C25H26FNO2.3C25H27NO3.C25H27NO2.2C24H26N2O2.4CH4/c1-2-20-7-5-10-22(15-20)23-11-6-12-26(16-23)29-19-25(28)18-27-14-13-21-8-3-4-9-24(21)17-27;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;1-18-9-10-21(14-25(18)26)20-7-4-8-24(13-20)29-17-23(28)16-27-12-11-19-5-2-3-6-22(19)15-27;1-28-24-10-4-8-20(14-24)21-9-5-11-25(15-21)29-18-23(27)17-26-13-12-19-6-2-3-7-22(19)16-26;1-28-25-12-5-4-11-24(25)20-9-6-10-23(15-20)29-18-22(27)17-26-14-13-19-7-2-3-8-21(19)16-26;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;;;;/h3-12,15-16,25,28H,2,13-14,17-19H2,1H3;3-13,16,25,28H,2,14-15,17-19H2,1H3;2-10,13-14,23,28H,11-12,15-17H2,1H3;2-11,14-15,23,27H,12-13,16-18H2,1H3;2-12,15,22,27H,13-14,16-18H2,1H3;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;4*1H4
InChIKeyZKIALIZGWKKFMY-UHFFFAOYSA-N
XLogP41.22
TPSA347.77 Ų
H-Bond Donors9
H-Bond Acceptors32
Rotatable Bonds59
Heavy Atoms262
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003521.65
LogP ≤ 541.22
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1032

Analyze 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-ethylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-ethylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-fluoro-4-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methoxyphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methoxyphenyl)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;methane with MolForge

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Related Compounds

Hydroquinine 9-phenanthryl ether
CID 10994730
4-[(S)-(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-phenanthren-9-yloxymethyl]-6-methoxyquinoline
CID 127041890
4-[(5-Ethyl-1-azabicyclo[2.2.2]octan-2-yl)-phenanthren-9-yloxymethyl]quinolin-6-ol
CID 16759090
4-[(S)-(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-phenanthren-9-yloxymethyl]quinolin-6-ol
CID 49858738
4-[(R)-[5-ethenyl-1-[(3,4,5-trifluorophenyl)methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-phenanthren-9-yloxymethyl]quinolin-6-ol
CID 134944463
4-[(S)-[(1S,2R,4S,5R)-5-ethenyl-1-[(3,4,5-trifluorophenyl)methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-phenanthren-9-yloxymethyl]quinolin-6-ol
CID 162397272
4-[(S)-[(1S,2R,4S,5R)-5-ethenyl-1-[(3,4,5-trifluorophenyl)methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-phenanthren-9-yloxymethyl]-6-methoxyquinoline
CID 162397273
Hydroquinidine 9-phenanthryl ether
CID 10207330
4-[(S)-[(2R,4S,5S)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-phenanthren-9-yloxymethyl]-6-methoxyquinoline
CID 16212438
(1R,2S)-1-[2-(2,4-dimethylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(2-fluorophenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-2-morpholin-4-yl-2-pyridin-3-yl-1-[2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]ethanol
CID 91593758
6-[4-[2-Hydroxy-3-[2-hydroxyethyl(methyl)amino]propoxy]-2,3-dimethylphenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbaldehyde;5-methyl-2-(trifluoromethyl)pyridine
CID 143169359
2,4-difluoro-1-propan-2-ylbenzene;6,7-dimethyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-ethoxy-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-4-ol;tris(6-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline);6-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-4-ol;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-6-propan-2-yloxy-3,4-dihydro-1H-isoquinoline;(5-propan-2-yl-2-pyridinyl) trifluoromethanesulfonate;2-propan-2-yl-5-(trifluoromethyl)pyrazine
CID 157710638

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-ethylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-ethylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-fluoro-4-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methoxyphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methoxyphenyl)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;methane?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-ethylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-ethylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-fluoro-4-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methoxyphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methoxyphenyl)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;methane (CID 162144118) is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-ethylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-ethylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-fluoro-4-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methoxyphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methoxyphenyl)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;methane.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-ethylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-ethylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-fluoro-4-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methoxyphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methoxyphenyl)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;methane?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-ethylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-ethylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-fluoro-4-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methoxyphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methoxyphenyl)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;methane is C.C.C.C.CCc1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cc1.CCc1cccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1.COc1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cc1.COc1cccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1.COc1ccccc1-c1cccc(OCC(O)CN2CCc3ccccc3C2)c1.Cc1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cc1.Cc1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cc1F.Cc1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cn1.Cc1cncc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-ethylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-ethylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-fluoro-4-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methoxyphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methoxyphenyl)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;methane?
The InChIKey is ZKIALIZGWKKFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H29NO2.C25H26FNO2.3C25H27NO3.C25H27NO2.2C24H26N2O2.4CH4/c1-2-20-7-5-10-22(15-20)23-11-6-12-26(16-23)29-19-25(28)18-27-14-13-21-8-3-4-9-24(21)17-27;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;1-18-9-10-21(14-25(18)26)20-7-4-8-24(13-20)29-17-23(28)16-27-12-11-19-5-2-3-6-22(19)15-27;1-28-24-10-4-8-20(14-24)21-9-5-11-25(15-21)29-18-23(27)17-26-13-12-19-6-2-3-7-22(19)16-26;1-28-25-12-5-4-11-24(25)20-9-6-10-23(15-20)29-18-22(27)17-26-14-13-19-7-2-3-8-21(19)16-26;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;;;;/h3-12,15-16,25,28H,2,13-14,17-19H2,1H3;3-13,16,25,28H,2,14-15,17-19H2,1H3;2-10,13-14,23,28H,11-12,15-17H2,1H3;2-11,14-15,23,27H,12-13,16-18H2,1H3;2-12,15,22,27H,13-14,16-18H2,1H3;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;4*1H4.
What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-ethylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-ethylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-fluoro-4-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methoxyphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methoxyphenyl)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;methane?
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-ethylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-ethylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-fluoro-4-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methoxyphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methoxyphenyl)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;methane has a molecular weight of 3521.65 g/mol, XLogP of 41.22, 59 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-ethylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-ethylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-fluoro-4-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methoxyphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methoxyphenyl)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;methane is sourced from PubChem (CID 162144118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).