[2-[[3,5-dihydroxy-7-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethoxy]-5-hydroxy-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-hydroxy-5-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-hydroxy-5-[2-oxo-2-[(2-propan-2-yl-2-adamantyl)oxy]ethoxy]-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;phenyliodanuidylbenzene

C163H198F8I4O33-4 — CID 158245411

About [2-[[3,5-dihydroxy-7-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethoxy]-5-hydroxy-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-hydroxy-5-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-hydroxy-5-[2-oxo-2-[(2-propan-2-yl-2-adamantyl)oxy]ethoxy]-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;phenyliodanuidylbenzene

[2-[[3,5-dihydroxy-7-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethoxy]-5-hydroxy-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-hydroxy-5-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-hydroxy-5-[2-oxo-2-[(2-propan-2-yl-2-adamantyl)oxy]ethoxy]-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;phenyliodanuidylbenzene (PubChem CID 158245411) has the molecular formula C163H198F8I4O33-4 and a molecular weight of 3344.94 g/mol. Its IUPAC name is [2-[[3,5-dihydroxy-7-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethoxy]-5-hydroxy-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-hydroxy-5-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-hydroxy-5-[2-oxo-2-[(2-propan-2-yl-2-adamantyl)oxy]ethoxy]-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;phenyliodanuidylbenzene.

Molecular Properties

• Compound Name: [2-[[3,5-dihydroxy-7-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethoxy]-5-hydroxy-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-hydroxy-5-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-hydroxy-5-[2-oxo-2-[(2-propan-2-yl-2-adamantyl)oxy]ethoxy]-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;phenyliodanuidylbenzene
• PubChem CID: 158245411
• Molecular Formula: C163H198F8I4O33-4
• Molecular Weight: 3344.94 g/mol
• Exact Mass: 3342.99
• IUPAC Name: [2-[[3,5-dihydroxy-7-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethoxy]-5-hydroxy-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-hydroxy-5-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-hydroxy-5-[2-oxo-2-[(2-propan-2-yl-2-adamantyl)oxy]ethoxy]-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;phenyliodanuidylbenzene
• SMILES: CC(C)C1(OC(=O)COC23CC4CC(O)(C2)CC(OC(=O)COC(=O)C(C)(F)F)(C4)C3)C2CC3CC(C2)CC1C3.CC(F)(F)C(=O)OCC(=O)OC12CC3(O)CC(O)(CC(OCC(=O)OC4(C)C5CC6CC(C5)CC4C6)(C3)C1)C2.CC(F)(F)C(=O)OCC(=O)OC12CC3CC(O)(CC(OCC(=O)OC4(C)C5CC6CC(C5)CC4C6)(C3)C1)C2.CCC1(OC(=O)COC23CC4CC(O)(C2)CC(OC(=O)COC(=O)C(C)(F)F)(C4)C3)C2CC3CC(C2)CC1C3.c1ccc([I-]c2ccccc2)cc1.c1ccc([I-]c2ccccc2)cc1.c1ccc([I-]c2ccccc2)cc1.c1ccc([I-]c2ccccc2)cc1
• InChI: InChI=1S/C30H42F2O8.C29H40F2O8.C28H38F2O9.C28H38F2O8.4C12H10I/c1-17(2)30(21-5-18-4-19(7-21)8-22(30)6-18)40-24(34)13-38-28-10-20-9-27(36,14-28)15-29(11-20,16-28)39-23(33)12-37-25(35)26(3,31)32;1-3-29(20-5-17-4-18(7-20)8-21(29)6-17)39-23(33)13-37-27-10-19-9-26(35,14-27)15-28(11-19,16-27)38-22(32)12-36-24(34)25(2,30)31;1-23(18-4-16-3-17(6-18)7-19(23)5-16)38-21(32)9-37-27-11-25(34)10-26(35,12-27)14-28(13-25,15-27)39-20(31)8-36-22(33)24(2,29)30;1-24(19-4-16-3-17(6-19)7-20(24)5-16)37-22(32)12-36-27-9-18-8-26(34,13-27)14-28(10-18,15-27)38-21(31)11-35-23(33)25(2,29)30;4*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h17-22,36H,4-16H2,1-3H3;17-21,35H,3-16H2,1-2H3;16-19,34-35H,3-15H2,1-2H3;16-20,34H,3-15H2,1-2H3;4*1-10H/q;;;;4*-1
• InChIKey: VXMRUHRSESDGHF-UHFFFAOYSA-N
• XLogP: 14.24
• TPSA: 453.67 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 42
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3344.94
LogP ≤ 5	14.24
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[[3,5-dihydroxy-7-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethoxy]-5-hydroxy-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-hydroxy-5-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-hydroxy-5-[2-oxo-2-[(2-propan-2-yl-2-adamantyl)oxy]ethoxy]-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;phenyliodanuidylbenzene?

The IUPAC name of [2-[[3,5-dihydroxy-7-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethoxy]-5-hydroxy-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-hydroxy-5-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-hydroxy-5-[2-oxo-2-[(2-propan-2-yl-2-adamantyl)oxy]ethoxy]-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;phenyliodanuidylbenzene (CID 158245411) is [2-[[3,5-dihydroxy-7-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethoxy]-5-hydroxy-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-hydroxy-5-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-hydroxy-5-[2-oxo-2-[(2-propan-2-yl-2-adamantyl)oxy]ethoxy]-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;phenyliodanuidylbenzene.

What is the SMILES notation for [2-[[3,5-dihydroxy-7-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethoxy]-5-hydroxy-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-hydroxy-5-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-hydroxy-5-[2-oxo-2-[(2-propan-2-yl-2-adamantyl)oxy]ethoxy]-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;phenyliodanuidylbenzene?

The canonical SMILES for [2-[[3,5-dihydroxy-7-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethoxy]-5-hydroxy-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-hydroxy-5-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-hydroxy-5-[2-oxo-2-[(2-propan-2-yl-2-adamantyl)oxy]ethoxy]-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;phenyliodanuidylbenzene is CC(C)C1(OC(=O)COC23CC4CC(O)(C2)CC(OC(=O)COC(=O)C(C)(F)F)(C4)C3)C2CC3CC(C2)CC1C3.CC(F)(F)C(=O)OCC(=O)OC12CC3(O)CC(O)(CC(OCC(=O)OC4(C)C5CC6CC(C5)CC4C6)(C3)C1)C2.CC(F)(F)C(=O)OCC(=O)OC12CC3CC(O)(CC(OCC(=O)OC4(C)C5CC6CC(C5)CC4C6)(C3)C1)C2.CCC1(OC(=O)COC23CC4CC(O)(C2)CC(OC(=O)COC(=O)C(C)(F)F)(C4)C3)C2CC3CC(C2)CC1C3.c1ccc([I-]c2ccccc2)cc1.c1ccc([I-]c2ccccc2)cc1.c1ccc([I-]c2ccccc2)cc1.c1ccc([I-]c2ccccc2)cc1.

What is the InChIKey of [2-[[3,5-dihydroxy-7-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethoxy]-5-hydroxy-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-hydroxy-5-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-hydroxy-5-[2-oxo-2-[(2-propan-2-yl-2-adamantyl)oxy]ethoxy]-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;phenyliodanuidylbenzene?

The InChIKey is VXMRUHRSESDGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42F2O8.C29H40F2O8.C28H38F2O9.C28H38F2O8.4C12H10I/c1-17(2)30(21-5-18-4-19(7-21)8-22(30)6-18)40-24(34)13-38-28-10-20-9-27(36,14-28)15-29(11-20,16-28)39-23(33)12-37-25(35)26(3,31)32;1-3-29(20-5-17-4-18(7-20)8-21(29)6-17)39-23(33)13-37-27-10-19-9-26(35,14-27)15-28(11-19,16-27)38-22(32)12-36-24(34)25(2,30)31;1-23(18-4-16-3-17(6-18)7-19(23)5-16)38-21(32)9-37-27-11-25(34)10-26(35,12-27)14-28(13-25,15-27)39-20(31)8-36-22(33)24(2,29)30;1-24(19-4-16-3-17(6-19)7-20(24)5-16)37-22(32)12-36-27-9-18-8-26(34,13-27)14-28(10-18,15-27)38-21(31)11-35-23(33)25(2,29)30;4*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h17-22,36H,4-16H2,1-3H3;17-21,35H,3-16H2,1-2H3;16-19,34-35H,3-15H2,1-2H3;16-20,34H,3-15H2,1-2H3;4*1-10H/q;;;;4*-1.

What are the key properties of [2-[[3,5-dihydroxy-7-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethoxy]-5-hydroxy-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-hydroxy-5-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-hydroxy-5-[2-oxo-2-[(2-propan-2-yl-2-adamantyl)oxy]ethoxy]-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;phenyliodanuidylbenzene?

[2-[[3,5-dihydroxy-7-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethoxy]-5-hydroxy-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-hydroxy-5-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-hydroxy-5-[2-oxo-2-[(2-propan-2-yl-2-adamantyl)oxy]ethoxy]-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;phenyliodanuidylbenzene has a molecular weight of 3344.94 g/mol, XLogP of 14.24, 42 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[[3,5-dihydroxy-7-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethoxy]-5-hydroxy-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-hydroxy-5-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-hydroxy-5-[2-oxo-2-[(2-propan-2-yl-2-adamantyl)oxy]ethoxy]-1-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate;phenyliodanuidylbenzene is sourced from PubChem (CID 158245411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).