1-butoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-butoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;2,3-difluoro-1-propyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-ethoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-pentylbenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-propylbenzene;1-ethyl-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene

C218H328F18O14 — CID 158791699

About 1-butoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-butoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;2,3-difluoro-1-propyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-ethoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-pentylbenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-propylbenzene;1-ethyl-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene

1-butoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-butoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;2,3-difluoro-1-propyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-ethoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-pentylbenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-propylbenzene;1-ethyl-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene (PubChem CID 158791699) has the molecular formula C218H328F18O14 and a molecular weight of 3514.97 g/mol. Its IUPAC name is 1-butoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-butoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;2,3-difluoro-1-propyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-ethoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-pentylbenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-propylbenzene;1-ethyl-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene.

Molecular Properties

• Compound Name: 1-butoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-butoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;2,3-difluoro-1-propyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-ethoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-pentylbenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-propylbenzene;1-ethyl-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene
• PubChem CID: 158791699
• Molecular Formula: C218H328F18O14
• Molecular Weight: 3514.97 g/mol
• Exact Mass: 3512.47
• IUPAC Name: 1-butoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-butoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;2,3-difluoro-1-propyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-ethoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-pentylbenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-propylbenzene;1-ethyl-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene
• SMILES: CCC1CCC(C2CCC(COc3ccc(OC)c(F)c3F)CC2)CC1.CCCC1CCC(C2CCC(COc3ccc(OCC)c(F)c3F)CC2)CC1.CCCCCc1ccc(OCC2CCC(C3CCC(CC)CC3)CC2)c(F)c1F.CCCCOc1ccc(OCC2CCC(C3CCC(CC)CC3)CC2)c(F)c1F.CCCCOc1ccc(OCC2CCC(C3CCC(CCC)CC3)CC2)c(F)c1F.CCCc1ccc(OCC2CCC(C3CCC(CC)CC3)CC2)c(F)c1F.CCCc1ccc(OCC2CCC(C3CCC(CCC)CC3)CC2)c(F)c1F.CCOc1ccc(OCC2CCC(C3CCC(CC)CC3)CC2)c(F)c1F.CCc1ccc(OCC2CCC(C3CCC(CC)CC3)CC2)c(F)c1F
• InChI: InChI=1S/C26H40F2O2.C26H40F2O.C25H38F2O2.C25H38F2O.C24H36F2O2.C24H36F2O.C23H34F2O2.C23H34F2O.C22H32F2O2/c1-3-5-17-29-23-15-16-24(26(28)25(23)27)30-18-20-9-13-22(14-10-20)21-11-7-19(6-4-2)8-12-21;1-3-5-6-7-23-16-17-24(26(28)25(23)27)29-18-20-10-14-22(15-11-20)21-12-8-19(4-2)9-13-21;1-3-5-16-28-22-14-15-23(25(27)24(22)26)29-17-19-8-12-21(13-9-19)20-10-6-18(4-2)7-11-20;1-3-5-18-7-11-20(12-8-18)21-13-9-19(10-14-21)17-28-23-16-15-22(6-4-2)24(26)25(23)27;1-3-5-17-6-10-19(11-7-17)20-12-8-18(9-13-20)16-28-22-15-14-21(27-4-2)23(25)24(22)26;1-3-5-21-14-15-22(24(26)23(21)25)27-16-18-8-12-20(13-9-18)19-10-6-17(4-2)7-11-19;1-3-16-5-9-18(10-6-16)19-11-7-17(8-12-19)15-27-21-14-13-20(26-4-2)22(24)23(21)25;1-3-16-5-9-19(10-6-16)20-11-7-17(8-12-20)15-26-21-14-13-18(4-2)22(24)23(21)25;1-3-15-4-8-17(9-5-15)18-10-6-16(7-11-18)14-26-20-13-12-19(25-2)21(23)22(20)24/h15-16,19-22H,3-14,17-18H2,1-2H3;16-17,19-22H,3-15,18H2,1-2H3;14-15,18-21H,3-13,16-17H2,1-2H3;15-16,18-21H,3-14,17H2,1-2H3;14-15,17-20H,3-13,16H2,1-2H3;14-15,17-20H,3-13,16H2,1-2H3;13-14,16-19H,3-12,15H2,1-2H3;13-14,16-17,19-20H,3-12,15H2,1-2H3;12-13,15-18H,3-11,14H2,1-2H3
• InChIKey: ISIXBEZWSXKKQS-UHFFFAOYSA-N
• XLogP: 65.83
• TPSA: 129.22 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 70
• Heavy Atoms: 250
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3514.97
LogP ≤ 5	65.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-butoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;2,3-difluoro-1-propyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-ethoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-pentylbenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-propylbenzene;1-ethyl-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene?

The IUPAC name of 1-butoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-butoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;2,3-difluoro-1-propyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-ethoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-pentylbenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-propylbenzene;1-ethyl-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene (CID 158791699) is 1-butoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-butoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;2,3-difluoro-1-propyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-ethoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-pentylbenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-propylbenzene;1-ethyl-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene.

What is the SMILES notation for 1-butoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-butoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;2,3-difluoro-1-propyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-ethoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-pentylbenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-propylbenzene;1-ethyl-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene?

The canonical SMILES for 1-butoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-butoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;2,3-difluoro-1-propyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-ethoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-pentylbenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-propylbenzene;1-ethyl-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene is CCC1CCC(C2CCC(COc3ccc(OC)c(F)c3F)CC2)CC1.CCCC1CCC(C2CCC(COc3ccc(OCC)c(F)c3F)CC2)CC1.CCCCCc1ccc(OCC2CCC(C3CCC(CC)CC3)CC2)c(F)c1F.CCCCOc1ccc(OCC2CCC(C3CCC(CC)CC3)CC2)c(F)c1F.CCCCOc1ccc(OCC2CCC(C3CCC(CCC)CC3)CC2)c(F)c1F.CCCc1ccc(OCC2CCC(C3CCC(CC)CC3)CC2)c(F)c1F.CCCc1ccc(OCC2CCC(C3CCC(CCC)CC3)CC2)c(F)c1F.CCOc1ccc(OCC2CCC(C3CCC(CC)CC3)CC2)c(F)c1F.CCc1ccc(OCC2CCC(C3CCC(CC)CC3)CC2)c(F)c1F.

What is the InChIKey of 1-butoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-butoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;2,3-difluoro-1-propyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-ethoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-pentylbenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-propylbenzene;1-ethyl-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene?

The InChIKey is ISIXBEZWSXKKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40F2O2.C26H40F2O.C25H38F2O2.C25H38F2O.C24H36F2O2.C24H36F2O.C23H34F2O2.C23H34F2O.C22H32F2O2/c1-3-5-17-29-23-15-16-24(26(28)25(23)27)30-18-20-9-13-22(14-10-20)21-11-7-19(6-4-2)8-12-21;1-3-5-6-7-23-16-17-24(26(28)25(23)27)29-18-20-10-14-22(15-11-20)21-12-8-19(4-2)9-13-21;1-3-5-16-28-22-14-15-23(25(27)24(22)26)29-17-19-8-12-21(13-9-19)20-10-6-18(4-2)7-11-20;1-3-5-18-7-11-20(12-8-18)21-13-9-19(10-14-21)17-28-23-16-15-22(6-4-2)24(26)25(23)27;1-3-5-17-6-10-19(11-7-17)20-12-8-18(9-13-20)16-28-22-15-14-21(27-4-2)23(25)24(22)26;1-3-5-21-14-15-22(24(26)23(21)25)27-16-18-8-12-20(13-9-18)19-10-6-17(4-2)7-11-19;1-3-16-5-9-18(10-6-16)19-11-7-17(8-12-19)15-27-21-14-13-20(26-4-2)22(24)23(21)25;1-3-16-5-9-19(10-6-16)20-11-7-17(8-12-20)15-26-21-14-13-18(4-2)22(24)23(21)25;1-3-15-4-8-17(9-5-15)18-10-6-16(7-11-18)14-26-20-13-12-19(25-2)21(23)22(20)24/h15-16,19-22H,3-14,17-18H2,1-2H3;16-17,19-22H,3-15,18H2,1-2H3;14-15,18-21H,3-13,16-17H2,1-2H3;15-16,18-21H,3-14,17H2,1-2H3;14-15,17-20H,3-13,16H2,1-2H3;14-15,17-20H,3-13,16H2,1-2H3;13-14,16-19H,3-12,15H2,1-2H3;13-14,16-17,19-20H,3-12,15H2,1-2H3;12-13,15-18H,3-11,14H2,1-2H3.

What are the key properties of 1-butoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-butoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;2,3-difluoro-1-propyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-ethoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-pentylbenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-propylbenzene;1-ethyl-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene?

1-butoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-butoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;2,3-difluoro-1-propyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-ethoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-pentylbenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-propylbenzene;1-ethyl-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene has a molecular weight of 3514.97 g/mol, XLogP of 65.83, 70 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-butoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-butoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;2,3-difluoro-1-propyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-ethoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-pentylbenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-propylbenzene;1-ethyl-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene is sourced from PubChem (CID 158791699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).