3-[(2S,3R)-6-tert-butyl-3-(3-hydroxypropyl)-1,2,3,4-tetrahydroquinolin-2-yl]phenol;3-[(2R,3R)-6-tert-butyl-3-(3-hydroxypropyl)-1,2,3,4-tetrahydroquinolin-2-yl]phenol;(2S,3R)-6-tert-butyl-2-phenyl-1,2,3,4-tetrahydroquinoline-3-carboxylic acid;[(2S)-2-hydroxy-4-[2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]butyl] pentanoate;2-[(2S,3S)-6-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-3-yl]acetic acid;3-[(2R,3S)-2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]propan-1-ol

C126H150F6N6O12 — CID 159016267

IUPAC3-[(2S,3R)-6-tert-butyl-3-(3-hydroxypropyl)-1,2,3,4-tetrahydroquinolin-2-yl]phenol;3-[(2R,3R)-6-tert-butyl-3-(3-hydroxypropyl)-1,2,3,4-tetrahydroquinolin-2-yl]phenol;(2S,3R)-6-tert-butyl-2-phenyl-1,2,3,4-tetrahydroquinoline-3-carboxylic acid;[(2S)-2-hydroxy-4-[2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]butyl] pentanoate;2-[(2S,3S)-6-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-3-yl]acetic acid;3-[(2R,3S)-2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]propan-1-ol
SMILESCC(C)(C)c1ccc2c(c1)C[C@@H](C(=O)O)[C@@H](c1ccccc1)N2.CC(C)(C)c1ccc2c(c1)C[C@@H](CCCO)[C@@H](c1cccc(O)c1)N2.CC(C)(C)c1ccc2c(c1)C[C@@H](CCCO)[C@H](c1cccc(O)c1)N2.CCCCC(=O)OC[C@@H](O)CCC1Cc2cc(C(F)(F)F)ccc2NC1c1ccccc1.Cc1ccc2c(c1)C[C@@H](CC(=O)O)[C@@H](c1ccccc1)N2.OCCC[C@H]1Cc2cc(C(F)(F)F)ccc2N[C@H]1c1ccccc1
InChIInChI=1S/C25H30F3NO3.2C22H29NO2.C20H23NO2.C19H20F3NO.C18H19NO2/c1-2-3-9-23(31)32-16-21(30)12-10-18-14-19-15-20(25(26,27)28)11-13-22(19)29-24(18)17-7-5-4-6-8-17;2*1-22(2,3)18-9-10-20-17(13-18)12-15(7-5-11-24)21(23-20)16-6-4-8-19(25)14-16;1-20(2,3)15-9-10-17-14(11-15)12-16(19(22)23)18(21-17)13-7-5-4-6-8-13;20-19(21,22)16-8-9-17-15(12-16)11-14(7-4-10-24)18(23-17)13-5-2-1-3-6-13;1-12-7-8-16-14(9-12)10-15(11-17(20)21)18(19-16)13-5-3-2-4-6-13/h4-8,11,13,15,18,21,24,29-30H,2-3,9-10,12,14,16H2,1H3;2*4,6,8-10,13-15,21,23-25H,5,7,11-12H2,1-3H3;4-11,16,18,21H,12H2,1-3H3,(H,22,23);1-3,5-6,8-9,12,14,18,23-24H,4,7,10-11H2;2-9,15,18-19H,10-11H2,1H3,(H,20,21)/t18?,21-,24?;15-,21+;15-,21-;16-,18-;14-,18-;15-,18+/m011100/s1
InChIKeyJTCYXKGKAGVGKV-UPIIRQPXSA-N
MW2054.60 g/mol
LogP28.47
Rot. Bonds26

About 3-[(2S,3R)-6-tert-butyl-3-(3-hydroxypropyl)-1,2,3,4-tetrahydroquinolin-2-yl]phenol;3-[(2R,3R)-6-tert-butyl-3-(3-hydroxypropyl)-1,2,3,4-tetrahydroquinolin-2-yl]phenol;(2S,3R)-6-tert-butyl-2-phenyl-1,2,3,4-tetrahydroquinoline-3-carboxylic acid;[(2S)-2-hydroxy-4-[2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]butyl] pentanoate;2-[(2S,3S)-6-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-3-yl]acetic acid;3-[(2R,3S)-2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]propan-1-ol

3-[(2S,3R)-6-tert-butyl-3-(3-hydroxypropyl)-1,2,3,4-tetrahydroquinolin-2-yl]phenol;3-[(2R,3R)-6-tert-butyl-3-(3-hydroxypropyl)-1,2,3,4-tetrahydroquinolin-2-yl]phenol;(2S,3R)-6-tert-butyl-2-phenyl-1,2,3,4-tetrahydroquinoline-3-carboxylic acid;[(2S)-2-hydroxy-4-[2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]butyl] pentanoate;2-[(2S,3S)-6-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-3-yl]acetic acid;3-[(2R,3S)-2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]propan-1-ol (PubChem CID 159016267) has the molecular formula C126H150F6N6O12 and a molecular weight of 2054.60 g/mol. Its IUPAC name is 3-[(2S,3R)-6-tert-butyl-3-(3-hydroxypropyl)-1,2,3,4-tetrahydroquinolin-2-yl]phenol;3-[(2R,3R)-6-tert-butyl-3-(3-hydroxypropyl)-1,2,3,4-tetrahydroquinolin-2-yl]phenol;(2S,3R)-6-tert-butyl-2-phenyl-1,2,3,4-tetrahydroquinoline-3-carboxylic acid;[(2S)-2-hydroxy-4-[2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]butyl] pentanoate;2-[(2S,3S)-6-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-3-yl]acetic acid;3-[(2R,3S)-2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(2S,3R)-6-tert-butyl-3-(3-hydroxypropyl)-1,2,3,4-tetrahydroquinolin-2-yl]phenol;3-[(2R,3R)-6-tert-butyl-3-(3-hydroxypropyl)-1,2,3,4-tetrahydroquinolin-2-yl]phenol;(2S,3R)-6-tert-butyl-2-phenyl-1,2,3,4-tetrahydroquinoline-3-carboxylic acid;[(2S)-2-hydroxy-4-[2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]butyl] pentanoate;2-[(2S,3S)-6-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-3-yl]acetic acid;3-[(2R,3S)-2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]propan-1-ol
PubChem CID159016267
Molecular FormulaC126H150F6N6O12
Molecular Weight2054.60 g/mol
Exact Mass2053.12
IUPAC Name3-[(2S,3R)-6-tert-butyl-3-(3-hydroxypropyl)-1,2,3,4-tetrahydroquinolin-2-yl]phenol;3-[(2R,3R)-6-tert-butyl-3-(3-hydroxypropyl)-1,2,3,4-tetrahydroquinolin-2-yl]phenol;(2S,3R)-6-tert-butyl-2-phenyl-1,2,3,4-tetrahydroquinoline-3-carboxylic acid;[(2S)-2-hydroxy-4-[2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]butyl] pentanoate;2-[(2S,3S)-6-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-3-yl]acetic acid;3-[(2R,3S)-2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]propan-1-ol
SMILESCC(C)(C)c1ccc2c(c1)C[C@@H](C(=O)O)[C@@H](c1ccccc1)N2.CC(C)(C)c1ccc2c(c1)C[C@@H](CCCO)[C@@H](c1cccc(O)c1)N2.CC(C)(C)c1ccc2c(c1)C[C@@H](CCCO)[C@H](c1cccc(O)c1)N2.CCCCC(=O)OC[C@@H](O)CCC1Cc2cc(C(F)(F)F)ccc2NC1c1ccccc1.Cc1ccc2c(c1)C[C@@H](CC(=O)O)[C@@H](c1ccccc1)N2.OCCC[C@H]1Cc2cc(C(F)(F)F)ccc2N[C@H]1c1ccccc1
InChIInChI=1S/C25H30F3NO3.2C22H29NO2.C20H23NO2.C19H20F3NO.C18H19NO2/c1-2-3-9-23(31)32-16-21(30)12-10-18-14-19-15-20(25(26,27)28)11-13-22(19)29-24(18)17-7-5-4-6-8-17;2*1-22(2,3)18-9-10-20-17(13-18)12-15(7-5-11-24)21(23-20)16-6-4-8-19(25)14-16;1-20(2,3)15-9-10-17-14(11-15)12-16(19(22)23)18(21-17)13-7-5-4-6-8-13;20-19(21,22)16-8-9-17-15(12-16)11-14(7-4-10-24)18(23-17)13-5-2-1-3-6-13;1-12-7-8-16-14(9-12)10-15(11-17(20)21)18(19-16)13-5-3-2-4-6-13/h4-8,11,13,15,18,21,24,29-30H,2-3,9-10,12,14,16H2,1H3;2*4,6,8-10,13-15,21,23-25H,5,7,11-12H2,1-3H3;4-11,16,18,21H,12H2,1-3H3,(H,22,23);1-3,5-6,8-9,12,14,18,23-24H,4,7,10-11H2;2-9,15,18-19H,10-11H2,1H3,(H,20,21)/t18?,21-,24?;15-,21+;15-,21-;16-,18-;14-,18-;15-,18+/m011100/s1
InChIKeyJTCYXKGKAGVGKV-UPIIRQPXSA-N
XLogP28.47
TPSA294.46 Ų
H-Bond Donors14
H-Bond Acceptors16
Rotatable Bonds26
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002054.60
LogP ≤ 528.47
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1016

Analyze 3-[(2S,3R)-6-tert-butyl-3-(3-hydroxypropyl)-1,2,3,4-tetrahydroquinolin-2-yl]phenol;3-[(2R,3R)-6-tert-butyl-3-(3-hydroxypropyl)-1,2,3,4-tetrahydroquinolin-2-yl]phenol;(2S,3R)-6-tert-butyl-2-phenyl-1,2,3,4-tetrahydroquinoline-3-carboxylic acid;[(2S)-2-hydroxy-4-[2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]butyl] pentanoate;2-[(2S,3S)-6-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-3-yl]acetic acid;3-[(2R,3S)-2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]propan-1-ol with MolForge

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Related Compounds

3-[(4aS,5S,10bR)-9-tert-butyl-2,3,4a,5,6,10b-hexahydro-[1,4]dioxino[2,3-c]quinolin-5-yl]phenol;(4aS,5S,10bR)-9-tert-butyl-5-phenyl-2,3,4a,5,6,10b-hexahydro-[1,4]dioxino[2,3-c]quinoline;3-[(4aS,5S,10bR)-9-ethyl-2,3,4a,5,6,10b-hexahydro-[1,4]dioxino[2,3-c]quinolin-5-yl]phenol;3-[(4aS,5S,10bR)-9-propan-2-yl-2,3,4a,5,6,10b-hexahydro-[1,4]dioxino[2,3-c]quinolin-5-yl]phenol;4-(9-tert-butyl-2,3,4a,5,6,10b-hexahydro-[1,4]dioxino[2,3-c]quinolin-5-yl)phenol;3-[9-(trifluoromethyl)-2,3,4a,5,6,10b-hexahydro-[1,4]dioxino[2,3-c]quinolin-5-yl]phenol
CID 157256123
4-[(4aS,5S,10bR)-9-tert-butyl-2,3,4a,5,6,10b-hexahydro-[1,4]dioxino[2,3-c]quinolin-5-yl]phenol;(4aS,5S,10bR)-9-tert-butyl-5-phenyl-2,3,4a,5,6,10b-hexahydro-[1,4]dioxino[2,3-c]quinoline;3-[(4aS,5S,10bR)-9-(trifluoromethyl)-2,3,4a,5,6,10b-hexahydro-[1,4]dioxino[2,3-c]quinolin-5-yl]phenol;4-(9-tert-butyl-2,3,4a,5,6,10b-hexahydro-[1,4]dioxino[2,3-c]quinolin-5-yl)phenol;9-tert-butyl-5-phenyl-2,3,4a,5,6,10b-hexahydro-[1,4]dioxino[2,3-c]quinoline;3-[9-(trifluoromethyl)-2,3,4a,5,6,10b-hexahydro-[1,4]dioxino[2,3-c]quinolin-5-yl]phenol
CID 158969583
4-[6-tert-butyl-2-(3-hydroxyphenyl)-1,2,3,4-tetrahydroquinolin-3-yl]butane-1,2-diol;1-[3-[(2R,3R)-6-tert-butyl-2-phenyl-1,2,3,4-tetrahydroquinolin-3-yl]propyl]-3-[2-(dimethylamino)ethyl]urea;1-[ethyl(2-hydroxyethyl)amino]-4-[2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]butan-2-ol;3-(6-ethyl-2-phenyl-1,2,3,4-tetrahydroquinolin-3-yl)-N,N-dimethylpropan-1-amine;2-[ethyl-[2-[2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]ethyl]amino]ethanol
CID 159069860
4-[(4aS,5R,10bS)-9-tert-butyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]phenol;(4aS,5R,10bS)-9-tert-butyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;3-[(4aS,5R,10bS)-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]phenol;4-(9-tert-butyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl)phenol;5-(3-methylphenyl)-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 159559007
3-[(4aS,5R,10bS)-9-tert-butyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]phenol;4-[(4aS,5R,10bS)-9-tert-butyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]phenol;(4aS,5R,10bS)-9-tert-butyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;3-[(4aS,5R,10bS)-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]phenol;4-(9-tert-butyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl)phenol;3-[9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]phenol
CID 162100512
3-[3-[3-[9-tert-butyl-2-(hydroxymethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]phenyl]-9-(1,1-difluoroethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]phenol
CID 162581034

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,3R)-6-tert-butyl-3-(3-hydroxypropyl)-1,2,3,4-tetrahydroquinolin-2-yl]phenol;3-[(2R,3R)-6-tert-butyl-3-(3-hydroxypropyl)-1,2,3,4-tetrahydroquinolin-2-yl]phenol;(2S,3R)-6-tert-butyl-2-phenyl-1,2,3,4-tetrahydroquinoline-3-carboxylic acid;[(2S)-2-hydroxy-4-[2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]butyl] pentanoate;2-[(2S,3S)-6-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-3-yl]acetic acid;3-[(2R,3S)-2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]propan-1-ol?
The IUPAC name of 3-[(2S,3R)-6-tert-butyl-3-(3-hydroxypropyl)-1,2,3,4-tetrahydroquinolin-2-yl]phenol;3-[(2R,3R)-6-tert-butyl-3-(3-hydroxypropyl)-1,2,3,4-tetrahydroquinolin-2-yl]phenol;(2S,3R)-6-tert-butyl-2-phenyl-1,2,3,4-tetrahydroquinoline-3-carboxylic acid;[(2S)-2-hydroxy-4-[2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]butyl] pentanoate;2-[(2S,3S)-6-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-3-yl]acetic acid;3-[(2R,3S)-2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]propan-1-ol (CID 159016267) is 3-[(2S,3R)-6-tert-butyl-3-(3-hydroxypropyl)-1,2,3,4-tetrahydroquinolin-2-yl]phenol;3-[(2R,3R)-6-tert-butyl-3-(3-hydroxypropyl)-1,2,3,4-tetrahydroquinolin-2-yl]phenol;(2S,3R)-6-tert-butyl-2-phenyl-1,2,3,4-tetrahydroquinoline-3-carboxylic acid;[(2S)-2-hydroxy-4-[2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]butyl] pentanoate;2-[(2S,3S)-6-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-3-yl]acetic acid;3-[(2R,3S)-2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]propan-1-ol.
What is the SMILES notation for 3-[(2S,3R)-6-tert-butyl-3-(3-hydroxypropyl)-1,2,3,4-tetrahydroquinolin-2-yl]phenol;3-[(2R,3R)-6-tert-butyl-3-(3-hydroxypropyl)-1,2,3,4-tetrahydroquinolin-2-yl]phenol;(2S,3R)-6-tert-butyl-2-phenyl-1,2,3,4-tetrahydroquinoline-3-carboxylic acid;[(2S)-2-hydroxy-4-[2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]butyl] pentanoate;2-[(2S,3S)-6-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-3-yl]acetic acid;3-[(2R,3S)-2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]propan-1-ol?
The canonical SMILES for 3-[(2S,3R)-6-tert-butyl-3-(3-hydroxypropyl)-1,2,3,4-tetrahydroquinolin-2-yl]phenol;3-[(2R,3R)-6-tert-butyl-3-(3-hydroxypropyl)-1,2,3,4-tetrahydroquinolin-2-yl]phenol;(2S,3R)-6-tert-butyl-2-phenyl-1,2,3,4-tetrahydroquinoline-3-carboxylic acid;[(2S)-2-hydroxy-4-[2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]butyl] pentanoate;2-[(2S,3S)-6-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-3-yl]acetic acid;3-[(2R,3S)-2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]propan-1-ol is CC(C)(C)c1ccc2c(c1)C[C@@H](C(=O)O)[C@@H](c1ccccc1)N2.CC(C)(C)c1ccc2c(c1)C[C@@H](CCCO)[C@@H](c1cccc(O)c1)N2.CC(C)(C)c1ccc2c(c1)C[C@@H](CCCO)[C@H](c1cccc(O)c1)N2.CCCCC(=O)OC[C@@H](O)CCC1Cc2cc(C(F)(F)F)ccc2NC1c1ccccc1.Cc1ccc2c(c1)C[C@@H](CC(=O)O)[C@@H](c1ccccc1)N2.OCCC[C@H]1Cc2cc(C(F)(F)F)ccc2N[C@H]1c1ccccc1.
What is the InChIKey of 3-[(2S,3R)-6-tert-butyl-3-(3-hydroxypropyl)-1,2,3,4-tetrahydroquinolin-2-yl]phenol;3-[(2R,3R)-6-tert-butyl-3-(3-hydroxypropyl)-1,2,3,4-tetrahydroquinolin-2-yl]phenol;(2S,3R)-6-tert-butyl-2-phenyl-1,2,3,4-tetrahydroquinoline-3-carboxylic acid;[(2S)-2-hydroxy-4-[2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]butyl] pentanoate;2-[(2S,3S)-6-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-3-yl]acetic acid;3-[(2R,3S)-2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]propan-1-ol?
The InChIKey is JTCYXKGKAGVGKV-UPIIRQPXSA-N. The full InChI is InChI=1S/C25H30F3NO3.2C22H29NO2.C20H23NO2.C19H20F3NO.C18H19NO2/c1-2-3-9-23(31)32-16-21(30)12-10-18-14-19-15-20(25(26,27)28)11-13-22(19)29-24(18)17-7-5-4-6-8-17;2*1-22(2,3)18-9-10-20-17(13-18)12-15(7-5-11-24)21(23-20)16-6-4-8-19(25)14-16;1-20(2,3)15-9-10-17-14(11-15)12-16(19(22)23)18(21-17)13-7-5-4-6-8-13;20-19(21,22)16-8-9-17-15(12-16)11-14(7-4-10-24)18(23-17)13-5-2-1-3-6-13;1-12-7-8-16-14(9-12)10-15(11-17(20)21)18(19-16)13-5-3-2-4-6-13/h4-8,11,13,15,18,21,24,29-30H,2-3,9-10,12,14,16H2,1H3;2*4,6,8-10,13-15,21,23-25H,5,7,11-12H2,1-3H3;4-11,16,18,21H,12H2,1-3H3,(H,22,23);1-3,5-6,8-9,12,14,18,23-24H,4,7,10-11H2;2-9,15,18-19H,10-11H2,1H3,(H,20,21)/t18?,21-,24?;15-,21+;15-,21-;16-,18-;14-,18-;15-,18+/m011100/s1.
What are the key properties of 3-[(2S,3R)-6-tert-butyl-3-(3-hydroxypropyl)-1,2,3,4-tetrahydroquinolin-2-yl]phenol;3-[(2R,3R)-6-tert-butyl-3-(3-hydroxypropyl)-1,2,3,4-tetrahydroquinolin-2-yl]phenol;(2S,3R)-6-tert-butyl-2-phenyl-1,2,3,4-tetrahydroquinoline-3-carboxylic acid;[(2S)-2-hydroxy-4-[2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]butyl] pentanoate;2-[(2S,3S)-6-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-3-yl]acetic acid;3-[(2R,3S)-2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]propan-1-ol?
3-[(2S,3R)-6-tert-butyl-3-(3-hydroxypropyl)-1,2,3,4-tetrahydroquinolin-2-yl]phenol;3-[(2R,3R)-6-tert-butyl-3-(3-hydroxypropyl)-1,2,3,4-tetrahydroquinolin-2-yl]phenol;(2S,3R)-6-tert-butyl-2-phenyl-1,2,3,4-tetrahydroquinoline-3-carboxylic acid;[(2S)-2-hydroxy-4-[2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]butyl] pentanoate;2-[(2S,3S)-6-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-3-yl]acetic acid;3-[(2R,3S)-2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]propan-1-ol has a molecular weight of 2054.60 g/mol, XLogP of 28.47, 26 rotatable bonds, 14 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,3R)-6-tert-butyl-3-(3-hydroxypropyl)-1,2,3,4-tetrahydroquinolin-2-yl]phenol;3-[(2R,3R)-6-tert-butyl-3-(3-hydroxypropyl)-1,2,3,4-tetrahydroquinolin-2-yl]phenol;(2S,3R)-6-tert-butyl-2-phenyl-1,2,3,4-tetrahydroquinoline-3-carboxylic acid;[(2S)-2-hydroxy-4-[2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]butyl] pentanoate;2-[(2S,3S)-6-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-3-yl]acetic acid;3-[(2R,3S)-2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]propan-1-ol is sourced from PubChem (CID 159016267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).