(3R)-2-(2-chlorophenyl)-3-(2,4-difluorophenyl)-5,5-dimethylhex-1-en-3-ol;3-(2,4-difluorophenyl)-2,2-difluoro-3-hydroxy-5,5-dimethylhexanamide;(2S,3R)-3-(2,4-difluorophenyl)-5,5-dimethyl-2-[4-(2-methylpyrazol-3-yl)phenyl]hexan-3-ol;(2S)-2-(2,4-difluorophenyl)-4,4-dimethyl-1-[3-[(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazol-1-yl]pentan-2-ol;4-[2-[3-(2,4-difluorophenyl)-3-hydroxy-5,5-dimethylhexan-2-yl]-1,3-thiazol-4-yl]benzonitrile;2-[(3S)-3-(2,4-difluorophenyl)-3-hydroxy-5,5-dimethylhexan-2-yl]-4-[4-(2,2,3-trifluorobutoxy)phenyl]-1,2,4-triazol-3-one;methane;2,5,5-trimethyl-2-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]hexan-3-ol

C152H176ClF24N11O13S2 — CID 158392752

About (3R)-2-(2-chlorophenyl)-3-(2,4-difluorophenyl)-5,5-dimethylhex-1-en-3-ol;3-(2,4-difluorophenyl)-2,2-difluoro-3-hydroxy-5,5-dimethylhexanamide;(2S,3R)-3-(2,4-difluorophenyl)-5,5-dimethyl-2-[4-(2-methylpyrazol-3-yl)phenyl]hexan-3-ol;(2S)-2-(2,4-difluorophenyl)-4,4-dimethyl-1-[3-[(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazol-1-yl]pentan-2-ol;4-[2-[3-(2,4-difluorophenyl)-3-hydroxy-5,5-dimethylhexan-2-yl]-1,3-thiazol-4-yl]benzonitrile;2-[(3S)-3-(2,4-difluorophenyl)-3-hydroxy-5,5-dimethylhexan-2-yl]-4-[4-(2,2,3-trifluorobutoxy)phenyl]-1,2,4-triazol-3-one;methane;2,5,5-trimethyl-2-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]hexan-3-ol

(3R)-2-(2-chlorophenyl)-3-(2,4-difluorophenyl)-5,5-dimethylhex-1-en-3-ol;3-(2,4-difluorophenyl)-2,2-difluoro-3-hydroxy-5,5-dimethylhexanamide;(2S,3R)-3-(2,4-difluorophenyl)-5,5-dimethyl-2-[4-(2-methylpyrazol-3-yl)phenyl]hexan-3-ol;(2S)-2-(2,4-difluorophenyl)-4,4-dimethyl-1-[3-[(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazol-1-yl]pentan-2-ol;4-[2-[3-(2,4-difluorophenyl)-3-hydroxy-5,5-dimethylhexan-2-yl]-1,3-thiazol-4-yl]benzonitrile;2-[(3S)-3-(2,4-difluorophenyl)-3-hydroxy-5,5-dimethylhexan-2-yl]-4-[4-(2,2,3-trifluorobutoxy)phenyl]-1,2,4-triazol-3-one;methane;2,5,5-trimethyl-2-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]hexan-3-ol (PubChem CID 158392752) has the molecular formula C152H176ClF24N11O13S2 and a molecular weight of 2920.68 g/mol. Its IUPAC name is (3R)-2-(2-chlorophenyl)-3-(2,4-difluorophenyl)-5,5-dimethylhex-1-en-3-ol;3-(2,4-difluorophenyl)-2,2-difluoro-3-hydroxy-5,5-dimethylhexanamide;(2S,3R)-3-(2,4-difluorophenyl)-5,5-dimethyl-2-[4-(2-methylpyrazol-3-yl)phenyl]hexan-3-ol;(2S)-2-(2,4-difluorophenyl)-4,4-dimethyl-1-[3-[(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazol-1-yl]pentan-2-ol;4-[2-[3-(2,4-difluorophenyl)-3-hydroxy-5,5-dimethylhexan-2-yl]-1,3-thiazol-4-yl]benzonitrile;2-[(3S)-3-(2,4-difluorophenyl)-3-hydroxy-5,5-dimethylhexan-2-yl]-4-[4-(2,2,3-trifluorobutoxy)phenyl]-1,2,4-triazol-3-one;methane;2,5,5-trimethyl-2-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]hexan-3-ol.

Molecular Properties

• Compound Name: (3R)-2-(2-chlorophenyl)-3-(2,4-difluorophenyl)-5,5-dimethylhex-1-en-3-ol;3-(2,4-difluorophenyl)-2,2-difluoro-3-hydroxy-5,5-dimethylhexanamide;(2S,3R)-3-(2,4-difluorophenyl)-5,5-dimethyl-2-[4-(2-methylpyrazol-3-yl)phenyl]hexan-3-ol;(2S)-2-(2,4-difluorophenyl)-4,4-dimethyl-1-[3-[(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazol-1-yl]pentan-2-ol;4-[2-[3-(2,4-difluorophenyl)-3-hydroxy-5,5-dimethylhexan-2-yl]-1,3-thiazol-4-yl]benzonitrile;2-[(3S)-3-(2,4-difluorophenyl)-3-hydroxy-5,5-dimethylhexan-2-yl]-4-[4-(2,2,3-trifluorobutoxy)phenyl]-1,2,4-triazol-3-one;methane;2,5,5-trimethyl-2-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]hexan-3-ol
• PubChem CID: 158392752
• Molecular Formula: C152H176ClF24N11O13S2
• Molecular Weight: 2920.68 g/mol
• Exact Mass: 2918.22
• IUPAC Name: (3R)-2-(2-chlorophenyl)-3-(2,4-difluorophenyl)-5,5-dimethylhex-1-en-3-ol;3-(2,4-difluorophenyl)-2,2-difluoro-3-hydroxy-5,5-dimethylhexanamide;(2S,3R)-3-(2,4-difluorophenyl)-5,5-dimethyl-2-[4-(2-methylpyrazol-3-yl)phenyl]hexan-3-ol;(2S)-2-(2,4-difluorophenyl)-4,4-dimethyl-1-[3-[(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazol-1-yl]pentan-2-ol;4-[2-[3-(2,4-difluorophenyl)-3-hydroxy-5,5-dimethylhexan-2-yl]-1,3-thiazol-4-yl]benzonitrile;2-[(3S)-3-(2,4-difluorophenyl)-3-hydroxy-5,5-dimethylhexan-2-yl]-4-[4-(2,2,3-trifluorobutoxy)phenyl]-1,2,4-triazol-3-one;methane;2,5,5-trimethyl-2-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]hexan-3-ol
• SMILES: C.C=C(c1ccccc1Cl)[C@](O)(CC(C)(C)C)c1ccc(F)cc1F.CC(C)(C)CC(O)(c1ccc(C(F)(F)F)cc1)C(C)(C)S(C)(=O)=O.CC(C)(C)CC(O)(c1ccc(F)cc1F)C(F)(F)C(N)=O.CC(C)(C)C[C@@](O)(Cn1cnc(/C=C/c2ccc(OCC(F)(F)C(F)F)cc2)n1)c1ccc(F)cc1F.CC(F)C(F)(F)COc1ccc(-n2cnn(C(C)[C@](O)(CC(C)(C)C)c3ccc(F)cc3F)c2=O)cc1.CC(c1nc(-c2ccc(C#N)cc2)cs1)C(O)(CC(C)(C)C)c1ccc(F)cc1F.C[C@@H](c1ccc(-c2ccnn2C)cc1)[C@](O)(CC(C)(C)C)c1ccc(F)cc1F
• InChI: InChI=1S/C26H27F6N3O2.C26H30F5N3O3.C24H24F2N2OS.C24H28F2N2O.C20H21ClF2O.C17H25F3O3S.C14H17F4NO2.CH4/c1-24(2,3)13-25(36,20-10-7-18(27)12-21(20)28)14-35-16-33-22(34-35)11-6-17-4-8-19(9-5-17)37-15-26(31,32)23(29)30;1-16(27)26(30,31)14-37-20-9-7-19(8-10-20)33-15-32-34(23(33)35)17(2)25(36,13-24(3,4)5)21-11-6-18(28)12-22(21)29;1-15(22-28-21(13-30-22)17-7-5-16(12-27)6-8-17)24(29,14-23(2,3)4)19-10-9-18(25)11-20(19)26;1-16(17-6-8-18(9-7-17)22-12-13-27-28(22)5)24(29,15-23(2,3)4)20-11-10-19(25)14-21(20)26;1-13(15-7-5-6-8-17(15)21)20(24,12-19(2,3)4)16-10-9-14(22)11-18(16)23;1-14(2,3)11-16(21,15(4,5)24(6,22)23)12-7-9-13(10-8-12)17(18,19)20;1-12(2,3)7-13(21,14(17,18)11(19)20)9-5-4-8(15)6-10(9)16;/h4-12,16,23,36H,13-15H2,1-3H3;6-12,15-17,36H,13-14H2,1-5H3;5-11,13,15,29H,14H2,1-4H3;6-14,16,29H,15H2,1-5H3;5-11,24H,1,12H2,2-4H3;7-10,21H,11H2,1-6H3;4-6,21H,7H2,1-3H3,(H2,19,20);1H4/b11-6+;;;;;;;/t25-;16?,17?,25-;;16-,24+;20-;;;/m11.01.../s1
• InChIKey: GXEALTXWPBTGNV-QVEYUFLHSA-N
• XLogP: 37.53
• TPSA: 362.33 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 41
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2920.68
LogP ≤ 5	37.53
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R)-2-(2-chlorophenyl)-3-(2,4-difluorophenyl)-5,5-dimethylhex-1-en-3-ol;3-(2,4-difluorophenyl)-2,2-difluoro-3-hydroxy-5,5-dimethylhexanamide;(2S,3R)-3-(2,4-difluorophenyl)-5,5-dimethyl-2-[4-(2-methylpyrazol-3-yl)phenyl]hexan-3-ol;(2S)-2-(2,4-difluorophenyl)-4,4-dimethyl-1-[3-[(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazol-1-yl]pentan-2-ol;4-[2-[3-(2,4-difluorophenyl)-3-hydroxy-5,5-dimethylhexan-2-yl]-1,3-thiazol-4-yl]benzonitrile;2-[(3S)-3-(2,4-difluorophenyl)-3-hydroxy-5,5-dimethylhexan-2-yl]-4-[4-(2,2,3-trifluorobutoxy)phenyl]-1,2,4-triazol-3-one;methane;2,5,5-trimethyl-2-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]hexan-3-ol?

The IUPAC name of (3R)-2-(2-chlorophenyl)-3-(2,4-difluorophenyl)-5,5-dimethylhex-1-en-3-ol;3-(2,4-difluorophenyl)-2,2-difluoro-3-hydroxy-5,5-dimethylhexanamide;(2S,3R)-3-(2,4-difluorophenyl)-5,5-dimethyl-2-[4-(2-methylpyrazol-3-yl)phenyl]hexan-3-ol;(2S)-2-(2,4-difluorophenyl)-4,4-dimethyl-1-[3-[(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazol-1-yl]pentan-2-ol;4-[2-[3-(2,4-difluorophenyl)-3-hydroxy-5,5-dimethylhexan-2-yl]-1,3-thiazol-4-yl]benzonitrile;2-[(3S)-3-(2,4-difluorophenyl)-3-hydroxy-5,5-dimethylhexan-2-yl]-4-[4-(2,2,3-trifluorobutoxy)phenyl]-1,2,4-triazol-3-one;methane;2,5,5-trimethyl-2-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]hexan-3-ol (CID 158392752) is (3R)-2-(2-chlorophenyl)-3-(2,4-difluorophenyl)-5,5-dimethylhex-1-en-3-ol;3-(2,4-difluorophenyl)-2,2-difluoro-3-hydroxy-5,5-dimethylhexanamide;(2S,3R)-3-(2,4-difluorophenyl)-5,5-dimethyl-2-[4-(2-methylpyrazol-3-yl)phenyl]hexan-3-ol;(2S)-2-(2,4-difluorophenyl)-4,4-dimethyl-1-[3-[(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazol-1-yl]pentan-2-ol;4-[2-[3-(2,4-difluorophenyl)-3-hydroxy-5,5-dimethylhexan-2-yl]-1,3-thiazol-4-yl]benzonitrile;2-[(3S)-3-(2,4-difluorophenyl)-3-hydroxy-5,5-dimethylhexan-2-yl]-4-[4-(2,2,3-trifluorobutoxy)phenyl]-1,2,4-triazol-3-one;methane;2,5,5-trimethyl-2-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]hexan-3-ol.

What is the SMILES notation for (3R)-2-(2-chlorophenyl)-3-(2,4-difluorophenyl)-5,5-dimethylhex-1-en-3-ol;3-(2,4-difluorophenyl)-2,2-difluoro-3-hydroxy-5,5-dimethylhexanamide;(2S,3R)-3-(2,4-difluorophenyl)-5,5-dimethyl-2-[4-(2-methylpyrazol-3-yl)phenyl]hexan-3-ol;(2S)-2-(2,4-difluorophenyl)-4,4-dimethyl-1-[3-[(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazol-1-yl]pentan-2-ol;4-[2-[3-(2,4-difluorophenyl)-3-hydroxy-5,5-dimethylhexan-2-yl]-1,3-thiazol-4-yl]benzonitrile;2-[(3S)-3-(2,4-difluorophenyl)-3-hydroxy-5,5-dimethylhexan-2-yl]-4-[4-(2,2,3-trifluorobutoxy)phenyl]-1,2,4-triazol-3-one;methane;2,5,5-trimethyl-2-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]hexan-3-ol?

The canonical SMILES for (3R)-2-(2-chlorophenyl)-3-(2,4-difluorophenyl)-5,5-dimethylhex-1-en-3-ol;3-(2,4-difluorophenyl)-2,2-difluoro-3-hydroxy-5,5-dimethylhexanamide;(2S,3R)-3-(2,4-difluorophenyl)-5,5-dimethyl-2-[4-(2-methylpyrazol-3-yl)phenyl]hexan-3-ol;(2S)-2-(2,4-difluorophenyl)-4,4-dimethyl-1-[3-[(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazol-1-yl]pentan-2-ol;4-[2-[3-(2,4-difluorophenyl)-3-hydroxy-5,5-dimethylhexan-2-yl]-1,3-thiazol-4-yl]benzonitrile;2-[(3S)-3-(2,4-difluorophenyl)-3-hydroxy-5,5-dimethylhexan-2-yl]-4-[4-(2,2,3-trifluorobutoxy)phenyl]-1,2,4-triazol-3-one;methane;2,5,5-trimethyl-2-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]hexan-3-ol is C.C=C(c1ccccc1Cl)[C@](O)(CC(C)(C)C)c1ccc(F)cc1F.CC(C)(C)CC(O)(c1ccc(C(F)(F)F)cc1)C(C)(C)S(C)(=O)=O.CC(C)(C)CC(O)(c1ccc(F)cc1F)C(F)(F)C(N)=O.CC(C)(C)C[C@@](O)(Cn1cnc(/C=C/c2ccc(OCC(F)(F)C(F)F)cc2)n1)c1ccc(F)cc1F.CC(F)C(F)(F)COc1ccc(-n2cnn(C(C)[C@](O)(CC(C)(C)C)c3ccc(F)cc3F)c2=O)cc1.CC(c1nc(-c2ccc(C#N)cc2)cs1)C(O)(CC(C)(C)C)c1ccc(F)cc1F.C[C@@H](c1ccc(-c2ccnn2C)cc1)[C@](O)(CC(C)(C)C)c1ccc(F)cc1F.

What is the InChIKey of (3R)-2-(2-chlorophenyl)-3-(2,4-difluorophenyl)-5,5-dimethylhex-1-en-3-ol;3-(2,4-difluorophenyl)-2,2-difluoro-3-hydroxy-5,5-dimethylhexanamide;(2S,3R)-3-(2,4-difluorophenyl)-5,5-dimethyl-2-[4-(2-methylpyrazol-3-yl)phenyl]hexan-3-ol;(2S)-2-(2,4-difluorophenyl)-4,4-dimethyl-1-[3-[(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazol-1-yl]pentan-2-ol;4-[2-[3-(2,4-difluorophenyl)-3-hydroxy-5,5-dimethylhexan-2-yl]-1,3-thiazol-4-yl]benzonitrile;2-[(3S)-3-(2,4-difluorophenyl)-3-hydroxy-5,5-dimethylhexan-2-yl]-4-[4-(2,2,3-trifluorobutoxy)phenyl]-1,2,4-triazol-3-one;methane;2,5,5-trimethyl-2-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]hexan-3-ol?

The InChIKey is GXEALTXWPBTGNV-QVEYUFLHSA-N. The full InChI is InChI=1S/C26H27F6N3O2.C26H30F5N3O3.C24H24F2N2OS.C24H28F2N2O.C20H21ClF2O.C17H25F3O3S.C14H17F4NO2.CH4/c1-24(2,3)13-25(36,20-10-7-18(27)12-21(20)28)14-35-16-33-22(34-35)11-6-17-4-8-19(9-5-17)37-15-26(31,32)23(29)30;1-16(27)26(30,31)14-37-20-9-7-19(8-10-20)33-15-32-34(23(33)35)17(2)25(36,13-24(3,4)5)21-11-6-18(28)12-22(21)29;1-15(22-28-21(13-30-22)17-7-5-16(12-27)6-8-17)24(29,14-23(2,3)4)19-10-9-18(25)11-20(19)26;1-16(17-6-8-18(9-7-17)22-12-13-27-28(22)5)24(29,15-23(2,3)4)20-11-10-19(25)14-21(20)26;1-13(15-7-5-6-8-17(15)21)20(24,12-19(2,3)4)16-10-9-14(22)11-18(16)23;1-14(2,3)11-16(21,15(4,5)24(6,22)23)12-7-9-13(10-8-12)17(18,19)20;1-12(2,3)7-13(21,14(17,18)11(19)20)9-5-4-8(15)6-10(9)16;/h4-12,16,23,36H,13-15H2,1-3H3;6-12,15-17,36H,13-14H2,1-5H3;5-11,13,15,29H,14H2,1-4H3;6-14,16,29H,15H2,1-5H3;5-11,24H,1,12H2,2-4H3;7-10,21H,11H2,1-6H3;4-6,21H,7H2,1-3H3,(H2,19,20);1H4/b11-6+;;;;;;;/t25-;16?,17?,25-;;16-,24+;20-;;;/m11.01.../s1.

What are the key properties of (3R)-2-(2-chlorophenyl)-3-(2,4-difluorophenyl)-5,5-dimethylhex-1-en-3-ol;3-(2,4-difluorophenyl)-2,2-difluoro-3-hydroxy-5,5-dimethylhexanamide;(2S,3R)-3-(2,4-difluorophenyl)-5,5-dimethyl-2-[4-(2-methylpyrazol-3-yl)phenyl]hexan-3-ol;(2S)-2-(2,4-difluorophenyl)-4,4-dimethyl-1-[3-[(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazol-1-yl]pentan-2-ol;4-[2-[3-(2,4-difluorophenyl)-3-hydroxy-5,5-dimethylhexan-2-yl]-1,3-thiazol-4-yl]benzonitrile;2-[(3S)-3-(2,4-difluorophenyl)-3-hydroxy-5,5-dimethylhexan-2-yl]-4-[4-(2,2,3-trifluorobutoxy)phenyl]-1,2,4-triazol-3-one;methane;2,5,5-trimethyl-2-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]hexan-3-ol?

(3R)-2-(2-chlorophenyl)-3-(2,4-difluorophenyl)-5,5-dimethylhex-1-en-3-ol;3-(2,4-difluorophenyl)-2,2-difluoro-3-hydroxy-5,5-dimethylhexanamide;(2S,3R)-3-(2,4-difluorophenyl)-5,5-dimethyl-2-[4-(2-methylpyrazol-3-yl)phenyl]hexan-3-ol;(2S)-2-(2,4-difluorophenyl)-4,4-dimethyl-1-[3-[(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazol-1-yl]pentan-2-ol;4-[2-[3-(2,4-difluorophenyl)-3-hydroxy-5,5-dimethylhexan-2-yl]-1,3-thiazol-4-yl]benzonitrile;2-[(3S)-3-(2,4-difluorophenyl)-3-hydroxy-5,5-dimethylhexan-2-yl]-4-[4-(2,2,3-trifluorobutoxy)phenyl]-1,2,4-triazol-3-one;methane;2,5,5-trimethyl-2-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]hexan-3-ol has a molecular weight of 2920.68 g/mol, XLogP of 37.53, 41 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-2-(2-chlorophenyl)-3-(2,4-difluorophenyl)-5,5-dimethylhex-1-en-3-ol;3-(2,4-difluorophenyl)-2,2-difluoro-3-hydroxy-5,5-dimethylhexanamide;(2S,3R)-3-(2,4-difluorophenyl)-5,5-dimethyl-2-[4-(2-methylpyrazol-3-yl)phenyl]hexan-3-ol;(2S)-2-(2,4-difluorophenyl)-4,4-dimethyl-1-[3-[(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazol-1-yl]pentan-2-ol;4-[2-[3-(2,4-difluorophenyl)-3-hydroxy-5,5-dimethylhexan-2-yl]-1,3-thiazol-4-yl]benzonitrile;2-[(3S)-3-(2,4-difluorophenyl)-3-hydroxy-5,5-dimethylhexan-2-yl]-4-[4-(2,2,3-trifluorobutoxy)phenyl]-1,2,4-triazol-3-one;methane;2,5,5-trimethyl-2-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]hexan-3-ol is sourced from PubChem (CID 158392752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).