1-[4-(3,5-difluoro-4-octan-2-yloxyphenyl)phenyl]-4-pentylbicyclo[2.2.2]octane;1,3-difluoro-2-octan-2-yloxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene;[(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] nonanoate;1-(2-ethynylheptyl)-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-(2-methylbutyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;14-(4-methylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene;[2-[[4-(4-methylcyclohexyl)phenyl]methylperoxy]-2-phenylethyl] 4-(4-pentylcyclohexyl)benzoate;1-methyl-4-[4-(2-methylbutoxy)phenyl]benzene;1-methyl-4-[4-(2-methylbutyl)phenyl]benzene;(4-octan-2-yloxycarbonylphenyl) 4-hexoxybenzoate;(4-pentylphenyl) 4-octan-2-yloxybenzoate;1-phenylpropyl 4-(4-methylphenyl)benzoate;1-phenylpropyl 4-(4-pentylphenyl)benzoate

C364H494F6O23 — CID 158256602

About 1-[4-(3,5-difluoro-4-octan-2-yloxyphenyl)phenyl]-4-pentylbicyclo[2.2.2]octane;1,3-difluoro-2-octan-2-yloxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene;[(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] nonanoate;1-(2-ethynylheptyl)-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-(2-methylbutyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;14-(4-methylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene;[2-[[4-(4-methylcyclohexyl)phenyl]methylperoxy]-2-phenylethyl] 4-(4-pentylcyclohexyl)benzoate;1-methyl-4-[4-(2-methylbutoxy)phenyl]benzene;1-methyl-4-[4-(2-methylbutyl)phenyl]benzene;(4-octan-2-yloxycarbonylphenyl) 4-hexoxybenzoate;(4-pentylphenyl) 4-octan-2-yloxybenzoate;1-phenylpropyl 4-(4-methylphenyl)benzoate;1-phenylpropyl 4-(4-pentylphenyl)benzoate

1-[4-(3,5-difluoro-4-octan-2-yloxyphenyl)phenyl]-4-pentylbicyclo[2.2.2]octane;1,3-difluoro-2-octan-2-yloxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene;[(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] nonanoate;1-(2-ethynylheptyl)-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-(2-methylbutyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;14-(4-methylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene;[2-[[4-(4-methylcyclohexyl)phenyl]methylperoxy]-2-phenylethyl] 4-(4-pentylcyclohexyl)benzoate;1-methyl-4-[4-(2-methylbutoxy)phenyl]benzene;1-methyl-4-[4-(2-methylbutyl)phenyl]benzene;(4-octan-2-yloxycarbonylphenyl) 4-hexoxybenzoate;(4-pentylphenyl) 4-octan-2-yloxybenzoate;1-phenylpropyl 4-(4-methylphenyl)benzoate;1-phenylpropyl 4-(4-pentylphenyl)benzoate (PubChem CID 158256602) has the molecular formula C364H494F6O23 and a molecular weight of 5351.92 g/mol. Its IUPAC name is 1-[4-(3,5-difluoro-4-octan-2-yloxyphenyl)phenyl]-4-pentylbicyclo[2.2.2]octane;1,3-difluoro-2-octan-2-yloxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene;[(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] nonanoate;1-(2-ethynylheptyl)-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-(2-methylbutyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;14-(4-methylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene;[2-[[4-(4-methylcyclohexyl)phenyl]methylperoxy]-2-phenylethyl] 4-(4-pentylcyclohexyl)benzoate;1-methyl-4-[4-(2-methylbutoxy)phenyl]benzene;1-methyl-4-[4-(2-methylbutyl)phenyl]benzene;(4-octan-2-yloxycarbonylphenyl) 4-hexoxybenzoate;(4-pentylphenyl) 4-octan-2-yloxybenzoate;1-phenylpropyl 4-(4-methylphenyl)benzoate;1-phenylpropyl 4-(4-pentylphenyl)benzoate.

Molecular Properties

• Compound Name: 1-[4-(3,5-difluoro-4-octan-2-yloxyphenyl)phenyl]-4-pentylbicyclo[2.2.2]octane;1,3-difluoro-2-octan-2-yloxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene;[(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] nonanoate;1-(2-ethynylheptyl)-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-(2-methylbutyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;14-(4-methylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene;[2-[[4-(4-methylcyclohexyl)phenyl]methylperoxy]-2-phenylethyl] 4-(4-pentylcyclohexyl)benzoate;1-methyl-4-[4-(2-methylbutoxy)phenyl]benzene;1-methyl-4-[4-(2-methylbutyl)phenyl]benzene;(4-octan-2-yloxycarbonylphenyl) 4-hexoxybenzoate;(4-pentylphenyl) 4-octan-2-yloxybenzoate;1-phenylpropyl 4-(4-methylphenyl)benzoate;1-phenylpropyl 4-(4-pentylphenyl)benzoate
• PubChem CID: 158256602
• Molecular Formula: C364H494F6O23
• Molecular Weight: 5351.92 g/mol
• Exact Mass: 5347.74
• IUPAC Name: 1-[4-(3,5-difluoro-4-octan-2-yloxyphenyl)phenyl]-4-pentylbicyclo[2.2.2]octane;1,3-difluoro-2-octan-2-yloxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene;[(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] nonanoate;1-(2-ethynylheptyl)-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-(2-methylbutyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;14-(4-methylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene;[2-[[4-(4-methylcyclohexyl)phenyl]methylperoxy]-2-phenylethyl] 4-(4-pentylcyclohexyl)benzoate;1-methyl-4-[4-(2-methylbutoxy)phenyl]benzene;1-methyl-4-[4-(2-methylbutyl)phenyl]benzene;(4-octan-2-yloxycarbonylphenyl) 4-hexoxybenzoate;(4-pentylphenyl) 4-octan-2-yloxybenzoate;1-phenylpropyl 4-(4-methylphenyl)benzoate;1-phenylpropyl 4-(4-pentylphenyl)benzoate
• SMILES: C#CC(CCCCC)Cc1ccc(C2CCC(C3CCC(CCC)CC3)CC2)c(F)c1F.CC1CCC(C2COc3ccc4ccccc4c3-c3c(ccc4ccccc34)OC2)CC1.CCC(C)COc1ccc(-c2ccc(C)cc2)cc1.CCC(C)Cc1ccc(-c2ccc(C)cc2)cc1.CCC(OC(=O)c1ccc(-c2ccc(C)cc2)cc1)c1ccccc1.CCCC1CCC(C2CCC(c3ccc(CC(C)CC)cc3)CC2)CC1.CCCCCC1CCC(c2ccc(C(=O)OCC(OOCc3ccc(C4CCC(C)CC4)cc3)c3ccccc3)cc2)CC1.CCCCCCC(C)Oc1c(F)cc(-c2ccc(C34CCC(CCCCC)(CC3)CC4)cc2)cc1F.CCCCCCC(C)Oc1c(F)cc(C2CCC(C3CCC(CCC)CC3)CC2)cc1F.CCCCCCC(C)Oc1ccc(C(=O)Oc2ccc(CCCCC)cc2)cc1.CCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1.CCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)OC(C)CCCCCC)cc2)cc1.CCCCCc1ccc(-c2ccc(C(=O)OC(CC)c3ccccc3)cc2)cc1
• InChI: InChI=1S/C40H52O4.C36H64O2.C33H46F2O.C30H44F2.C30H30O2.C29H46F2O.C28H38O5.C27H30O2.C26H36O3.C26H42.C23H22O2.C18H22O.C18H22/c1-3-4-6-9-31-14-20-34(21-15-31)36-24-26-38(27-25-36)40(41)42-29-39(37-10-7-5-8-11-37)44-43-28-32-16-22-35(23-17-32)33-18-12-30(2)13-19-33;1-7-8-9-10-11-12-16-34(37)38-29-21-23-35(5)28(25-29)17-18-30-32-20-19-31(27(4)15-13-14-26(2)3)36(32,6)24-22-33(30)35;1-4-6-8-9-11-25(3)36-31-29(34)23-27(24-30(31)35)26-12-14-28(15-13-26)33-20-17-32(18-21-33,19-22-33)16-10-7-5-2;1-4-7-8-10-22(6-3)21-27-19-20-28(30(32)29(27)31)26-17-15-25(16-18-26)24-13-11-23(9-5-2)12-14-24;1-20-10-12-21(13-11-20)24-18-31-27-16-14-22-6-2-4-8-25(22)29(27)30-26-9-5-3-7-23(26)15-17-28(30)32-19-24;1-4-6-7-8-10-21(3)32-29-27(30)19-26(20-28(29)31)25-17-15-24(16-18-25)23-13-11-22(9-5-2)12-14-23;1-4-6-8-10-12-22(3)32-27(29)23-15-19-26(20-16-23)33-28(30)24-13-17-25(18-14-24)31-21-11-9-7-5-2;1-3-5-7-10-21-13-15-22(16-14-21)23-17-19-25(20-18-23)27(28)29-26(4-2)24-11-8-6-9-12-24;1-4-6-8-10-11-21(3)28-24-19-15-23(16-20-24)26(27)29-25-17-13-22(14-18-25)12-9-7-5-2;1-4-6-21-7-11-23(12-8-21)25-15-17-26(18-16-25)24-13-9-22(10-14-24)19-20(3)5-2;1-3-22(20-7-5-4-6-8-20)25-23(24)21-15-13-19(14-16-21)18-11-9-17(2)10-12-18;1-4-14(2)13-19-18-11-9-17(10-12-18)16-7-5-15(3)6-8-16;1-4-14(2)13-16-7-11-18(12-8-16)17-9-5-15(3)6-10-17/h5,7-8,10-11,16-17,22-27,30-31,33-34,39H,3-4,6,9,12-15,18-21,28-29H2,1-2H3;26-33H,7-25H2,1-6H3;12-15,23-25H,4-11,16-22H2,1-3H3;3,19-20,22-26H,4-5,7-18,21H2,1-2H3;2-9,14-17,20-21,24H,10-13,18-19H2,1H3;19-25H,4-18H2,1-3H3;13-20,22H,4-12,21H2,1-3H3;6,8-9,11-20,26H,3-5,7,10H2,1-2H3;13-21H,4-12H2,1-3H3;9-10,13-14,20-21,23,25-26H,4-8,11-12,15-19H2,1-3H3;4-16,22H,3H2,1-2H3;5-12,14H,4,13H2,1-3H3;5-12,14H,4,13H2,1-3H3/t;27-,28?,29+,30+,31-,32+,33+,35+,36-;;;;;;;;;;;/m.1.........../s1
• InChIKey: GHIYUDAEHJXQRE-PHXXOSGTSA-N
• XLogP: 105.48
• TPSA: 267.17 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 120
• Heavy Atoms: 393
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5351.92
LogP ≤ 5	105.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-difluoro-4-octan-2-yloxyphenyl)phenyl]-4-pentylbicyclo[2.2.2]octane;1,3-difluoro-2-octan-2-yloxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene;[(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] nonanoate;1-(2-ethynylheptyl)-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-(2-methylbutyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;14-(4-methylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene;[2-[[4-(4-methylcyclohexyl)phenyl]methylperoxy]-2-phenylethyl] 4-(4-pentylcyclohexyl)benzoate;1-methyl-4-[4-(2-methylbutoxy)phenyl]benzene;1-methyl-4-[4-(2-methylbutyl)phenyl]benzene;(4-octan-2-yloxycarbonylphenyl) 4-hexoxybenzoate;(4-pentylphenyl) 4-octan-2-yloxybenzoate;1-phenylpropyl 4-(4-methylphenyl)benzoate;1-phenylpropyl 4-(4-pentylphenyl)benzoate?

The IUPAC name of 1-[4-(3,5-difluoro-4-octan-2-yloxyphenyl)phenyl]-4-pentylbicyclo[2.2.2]octane;1,3-difluoro-2-octan-2-yloxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene;[(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] nonanoate;1-(2-ethynylheptyl)-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-(2-methylbutyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;14-(4-methylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene;[2-[[4-(4-methylcyclohexyl)phenyl]methylperoxy]-2-phenylethyl] 4-(4-pentylcyclohexyl)benzoate;1-methyl-4-[4-(2-methylbutoxy)phenyl]benzene;1-methyl-4-[4-(2-methylbutyl)phenyl]benzene;(4-octan-2-yloxycarbonylphenyl) 4-hexoxybenzoate;(4-pentylphenyl) 4-octan-2-yloxybenzoate;1-phenylpropyl 4-(4-methylphenyl)benzoate;1-phenylpropyl 4-(4-pentylphenyl)benzoate (CID 158256602) is 1-[4-(3,5-difluoro-4-octan-2-yloxyphenyl)phenyl]-4-pentylbicyclo[2.2.2]octane;1,3-difluoro-2-octan-2-yloxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene;[(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] nonanoate;1-(2-ethynylheptyl)-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-(2-methylbutyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;14-(4-methylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene;[2-[[4-(4-methylcyclohexyl)phenyl]methylperoxy]-2-phenylethyl] 4-(4-pentylcyclohexyl)benzoate;1-methyl-4-[4-(2-methylbutoxy)phenyl]benzene;1-methyl-4-[4-(2-methylbutyl)phenyl]benzene;(4-octan-2-yloxycarbonylphenyl) 4-hexoxybenzoate;(4-pentylphenyl) 4-octan-2-yloxybenzoate;1-phenylpropyl 4-(4-methylphenyl)benzoate;1-phenylpropyl 4-(4-pentylphenyl)benzoate.

What is the SMILES notation for 1-[4-(3,5-difluoro-4-octan-2-yloxyphenyl)phenyl]-4-pentylbicyclo[2.2.2]octane;1,3-difluoro-2-octan-2-yloxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene;[(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] nonanoate;1-(2-ethynylheptyl)-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-(2-methylbutyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;14-(4-methylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene;[2-[[4-(4-methylcyclohexyl)phenyl]methylperoxy]-2-phenylethyl] 4-(4-pentylcyclohexyl)benzoate;1-methyl-4-[4-(2-methylbutoxy)phenyl]benzene;1-methyl-4-[4-(2-methylbutyl)phenyl]benzene;(4-octan-2-yloxycarbonylphenyl) 4-hexoxybenzoate;(4-pentylphenyl) 4-octan-2-yloxybenzoate;1-phenylpropyl 4-(4-methylphenyl)benzoate;1-phenylpropyl 4-(4-pentylphenyl)benzoate?

The canonical SMILES for 1-[4-(3,5-difluoro-4-octan-2-yloxyphenyl)phenyl]-4-pentylbicyclo[2.2.2]octane;1,3-difluoro-2-octan-2-yloxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene;[(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] nonanoate;1-(2-ethynylheptyl)-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-(2-methylbutyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;14-(4-methylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene;[2-[[4-(4-methylcyclohexyl)phenyl]methylperoxy]-2-phenylethyl] 4-(4-pentylcyclohexyl)benzoate;1-methyl-4-[4-(2-methylbutoxy)phenyl]benzene;1-methyl-4-[4-(2-methylbutyl)phenyl]benzene;(4-octan-2-yloxycarbonylphenyl) 4-hexoxybenzoate;(4-pentylphenyl) 4-octan-2-yloxybenzoate;1-phenylpropyl 4-(4-methylphenyl)benzoate;1-phenylpropyl 4-(4-pentylphenyl)benzoate is C#CC(CCCCC)Cc1ccc(C2CCC(C3CCC(CCC)CC3)CC2)c(F)c1F.CC1CCC(C2COc3ccc4ccccc4c3-c3c(ccc4ccccc34)OC2)CC1.CCC(C)COc1ccc(-c2ccc(C)cc2)cc1.CCC(C)Cc1ccc(-c2ccc(C)cc2)cc1.CCC(OC(=O)c1ccc(-c2ccc(C)cc2)cc1)c1ccccc1.CCCC1CCC(C2CCC(c3ccc(CC(C)CC)cc3)CC2)CC1.CCCCCC1CCC(c2ccc(C(=O)OCC(OOCc3ccc(C4CCC(C)CC4)cc3)c3ccccc3)cc2)CC1.CCCCCCC(C)Oc1c(F)cc(-c2ccc(C34CCC(CCCCC)(CC3)CC4)cc2)cc1F.CCCCCCC(C)Oc1c(F)cc(C2CCC(C3CCC(CCC)CC3)CC2)cc1F.CCCCCCC(C)Oc1ccc(C(=O)Oc2ccc(CCCCC)cc2)cc1.CCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1.CCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)OC(C)CCCCCC)cc2)cc1.CCCCCc1ccc(-c2ccc(C(=O)OC(CC)c3ccccc3)cc2)cc1.

What is the InChIKey of 1-[4-(3,5-difluoro-4-octan-2-yloxyphenyl)phenyl]-4-pentylbicyclo[2.2.2]octane;1,3-difluoro-2-octan-2-yloxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene;[(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] nonanoate;1-(2-ethynylheptyl)-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-(2-methylbutyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;14-(4-methylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene;[2-[[4-(4-methylcyclohexyl)phenyl]methylperoxy]-2-phenylethyl] 4-(4-pentylcyclohexyl)benzoate;1-methyl-4-[4-(2-methylbutoxy)phenyl]benzene;1-methyl-4-[4-(2-methylbutyl)phenyl]benzene;(4-octan-2-yloxycarbonylphenyl) 4-hexoxybenzoate;(4-pentylphenyl) 4-octan-2-yloxybenzoate;1-phenylpropyl 4-(4-methylphenyl)benzoate;1-phenylpropyl 4-(4-pentylphenyl)benzoate?

The InChIKey is GHIYUDAEHJXQRE-PHXXOSGTSA-N. The full InChI is InChI=1S/C40H52O4.C36H64O2.C33H46F2O.C30H44F2.C30H30O2.C29H46F2O.C28H38O5.C27H30O2.C26H36O3.C26H42.C23H22O2.C18H22O.C18H22/c1-3-4-6-9-31-14-20-34(21-15-31)36-24-26-38(27-25-36)40(41)42-29-39(37-10-7-5-8-11-37)44-43-28-32-16-22-35(23-17-32)33-18-12-30(2)13-19-33;1-7-8-9-10-11-12-16-34(37)38-29-21-23-35(5)28(25-29)17-18-30-32-20-19-31(27(4)15-13-14-26(2)3)36(32,6)24-22-33(30)35;1-4-6-8-9-11-25(3)36-31-29(34)23-27(24-30(31)35)26-12-14-28(15-13-26)33-20-17-32(18-21-33,19-22-33)16-10-7-5-2;1-4-7-8-10-22(6-3)21-27-19-20-28(30(32)29(27)31)26-17-15-25(16-18-26)24-13-11-23(9-5-2)12-14-24;1-20-10-12-21(13-11-20)24-18-31-27-16-14-22-6-2-4-8-25(22)29(27)30-26-9-5-3-7-23(26)15-17-28(30)32-19-24;1-4-6-7-8-10-21(3)32-29-27(30)19-26(20-28(29)31)25-17-15-24(16-18-25)23-13-11-22(9-5-2)12-14-23;1-4-6-8-10-12-22(3)32-27(29)23-15-19-26(20-16-23)33-28(30)24-13-17-25(18-14-24)31-21-11-9-7-5-2;1-3-5-7-10-21-13-15-22(16-14-21)23-17-19-25(20-18-23)27(28)29-26(4-2)24-11-8-6-9-12-24;1-4-6-8-10-11-21(3)28-24-19-15-23(16-20-24)26(27)29-25-17-13-22(14-18-25)12-9-7-5-2;1-4-6-21-7-11-23(12-8-21)25-15-17-26(18-16-25)24-13-9-22(10-14-24)19-20(3)5-2;1-3-22(20-7-5-4-6-8-20)25-23(24)21-15-13-19(14-16-21)18-11-9-17(2)10-12-18;1-4-14(2)13-19-18-11-9-17(10-12-18)16-7-5-15(3)6-8-16;1-4-14(2)13-16-7-11-18(12-8-16)17-9-5-15(3)6-10-17/h5,7-8,10-11,16-17,22-27,30-31,33-34,39H,3-4,6,9,12-15,18-21,28-29H2,1-2H3;26-33H,7-25H2,1-6H3;12-15,23-25H,4-11,16-22H2,1-3H3;3,19-20,22-26H,4-5,7-18,21H2,1-2H3;2-9,14-17,20-21,24H,10-13,18-19H2,1H3;19-25H,4-18H2,1-3H3;13-20,22H,4-12,21H2,1-3H3;6,8-9,11-20,26H,3-5,7,10H2,1-2H3;13-21H,4-12H2,1-3H3;9-10,13-14,20-21,23,25-26H,4-8,11-12,15-19H2,1-3H3;4-16,22H,3H2,1-2H3;5-12,14H,4,13H2,1-3H3;5-12,14H,4,13H2,1-3H3/t;27-,28?,29+,30+,31-,32+,33+,35+,36-;;;;;;;;;;;/m.1.........../s1.

What are the key properties of 1-[4-(3,5-difluoro-4-octan-2-yloxyphenyl)phenyl]-4-pentylbicyclo[2.2.2]octane;1,3-difluoro-2-octan-2-yloxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene;[(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] nonanoate;1-(2-ethynylheptyl)-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-(2-methylbutyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;14-(4-methylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene;[2-[[4-(4-methylcyclohexyl)phenyl]methylperoxy]-2-phenylethyl] 4-(4-pentylcyclohexyl)benzoate;1-methyl-4-[4-(2-methylbutoxy)phenyl]benzene;1-methyl-4-[4-(2-methylbutyl)phenyl]benzene;(4-octan-2-yloxycarbonylphenyl) 4-hexoxybenzoate;(4-pentylphenyl) 4-octan-2-yloxybenzoate;1-phenylpropyl 4-(4-methylphenyl)benzoate;1-phenylpropyl 4-(4-pentylphenyl)benzoate?

1-[4-(3,5-difluoro-4-octan-2-yloxyphenyl)phenyl]-4-pentylbicyclo[2.2.2]octane;1,3-difluoro-2-octan-2-yloxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene;[(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] nonanoate;1-(2-ethynylheptyl)-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-(2-methylbutyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;14-(4-methylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene;[2-[[4-(4-methylcyclohexyl)phenyl]methylperoxy]-2-phenylethyl] 4-(4-pentylcyclohexyl)benzoate;1-methyl-4-[4-(2-methylbutoxy)phenyl]benzene;1-methyl-4-[4-(2-methylbutyl)phenyl]benzene;(4-octan-2-yloxycarbonylphenyl) 4-hexoxybenzoate;(4-pentylphenyl) 4-octan-2-yloxybenzoate;1-phenylpropyl 4-(4-methylphenyl)benzoate;1-phenylpropyl 4-(4-pentylphenyl)benzoate has a molecular weight of 5351.92 g/mol, XLogP of 105.48, 120 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(3,5-difluoro-4-octan-2-yloxyphenyl)phenyl]-4-pentylbicyclo[2.2.2]octane;1,3-difluoro-2-octan-2-yloxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene;[(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] nonanoate;1-(2-ethynylheptyl)-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-(2-methylbutyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;14-(4-methylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene;[2-[[4-(4-methylcyclohexyl)phenyl]methylperoxy]-2-phenylethyl] 4-(4-pentylcyclohexyl)benzoate;1-methyl-4-[4-(2-methylbutoxy)phenyl]benzene;1-methyl-4-[4-(2-methylbutyl)phenyl]benzene;(4-octan-2-yloxycarbonylphenyl) 4-hexoxybenzoate;(4-pentylphenyl) 4-octan-2-yloxybenzoate;1-phenylpropyl 4-(4-methylphenyl)benzoate;1-phenylpropyl 4-(4-pentylphenyl)benzoate is sourced from PubChem (CID 158256602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).