2-butan-2-yloxy-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-butan-2-yloxy-1,3-difluoro-5-[4-[4-[(E)-3-methylpent-1-enyl]cyclohexyl]phenyl]benzene;[4-(2-methylbutyl)phenyl] 4-(4-methylphenyl)benzoate;[2-[4-(4-methylcyclohexyl)benzoyl]oxy-1,2-diphenylethyl] 4-(4-methylcyclohexyl)benzoate;[2-[4-(4-methylcyclohexyl)benzoyl]oxy-2-phenylethyl] 4-(4-methylcyclohexyl)benzoate;[3-[[4-(4-methylcyclohexyl)phenoxy]methoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 4-(4-methylcyclohexyl)benzoate;[4-(2-phenylpropyl)phenyl] 4-methylbenzoate

C211H250F4O20 — CID 159456017

IUPAC2-butan-2-yloxy-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-butan-2-yloxy-1,3-difluoro-5-[4-[4-[(E)-3-methylpent-1-enyl]cyclohexyl]phenyl]benzene;[4-(2-methylbutyl)phenyl] 4-(4-methylphenyl)benzoate;[2-[4-(4-methylcyclohexyl)benzoyl]oxy-1,2-diphenylethyl] 4-(4-methylcyclohexyl)benzoate;[2-[4-(4-methylcyclohexyl)benzoyl]oxy-2-phenylethyl] 4-(4-methylcyclohexyl)benzoate;[3-[[4-(4-methylcyclohexyl)phenoxy]methoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 4-(4-methylcyclohexyl)benzoate;[4-(2-phenylpropyl)phenyl] 4-methylbenzoate
SMILESCC1CCC(c2ccc(C(=O)OC(c3ccccc3)C(OC(=O)c3ccc(C4CCC(C)CC4)cc3)c3ccccc3)cc2)CC1.CC1CCC(c2ccc(C(=O)OCC(OC(=O)c3ccc(C4CCC(C)CC4)cc3)c3ccccc3)cc2)CC1.CC1CCC(c2ccc(OCOC3COC4C(OC(=O)c5ccc(C6CCC(C)CC6)cc5)COC34)cc2)CC1.CCC(C)/C=C/C1CCC(c2ccc(-c3cc(F)c(OC(C)CC)c(F)c3)cc2)CC1.CCC(C)Cc1ccc(OC(=O)c2ccc(-c3ccc(C)cc3)cc2)cc1.CCC(C)Oc1c(F)cc(C2CCC(C3CCC(C)CC3)CC2)cc1F.Cc1ccc(C(=O)Oc2ccc(CC(C)c3ccccc3)cc2)cc1
InChIInChI=1S/C42H46O4.C36H42O4.C34H44O6.C28H36F2O.C25H26O2.C23H34F2O.C23H22O2/c1-29-13-17-31(18-14-29)33-21-25-37(26-22-33)41(43)45-39(35-9-5-3-6-10-35)40(36-11-7-4-8-12-36)46-42(44)38-27-23-34(24-28-38)32-19-15-30(2)16-20-32;1-25-8-12-27(13-9-25)29-16-20-32(21-17-29)35(37)39-24-34(31-6-4-3-5-7-31)40-36(38)33-22-18-30(19-23-33)28-14-10-26(2)11-15-28;1-22-3-7-24(8-4-22)26-11-13-28(14-12-26)34(35)40-31-20-37-32-30(19-36-33(31)32)39-21-38-29-17-15-27(16-18-29)25-9-5-23(2)6-10-25;1-5-19(3)7-8-21-9-11-22(12-10-21)23-13-15-24(16-14-23)25-17-26(29)28(27(30)18-25)31-20(4)6-2;1-4-18(2)17-20-7-15-24(16-8-20)27-25(26)23-13-11-22(12-14-23)21-9-5-19(3)6-10-21;1-4-16(3)26-23-21(24)13-20(14-22(23)25)19-11-9-18(10-12-19)17-7-5-15(2)6-8-17;1-17-8-12-21(13-9-17)23(24)25-22-14-10-19(11-15-22)16-18(2)20-6-4-3-5-7-20/h3-12,21-32,39-40H,13-20H2,1-2H3;3-7,16-23,25-28,34H,8-15,24H2,1-2H3;11-18,22-25,30-33H,3-10,19-21H2,1-2H3;7-8,13-22H,5-6,9-12H2,1-4H3;5-16,18H,4,17H2,1-3H3;13-19H,4-12H2,1-3H3;3-15,18H,16H2,1-2H3/b;;;8-7+;;;
InChIKeyLTZCOIPWTQOUSW-UJRMWFDKSA-N
MW3182.29 g/mol
LogP54.78
Rot. Bonds49

About 2-butan-2-yloxy-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-butan-2-yloxy-1,3-difluoro-5-[4-[4-[(E)-3-methylpent-1-enyl]cyclohexyl]phenyl]benzene;[4-(2-methylbutyl)phenyl] 4-(4-methylphenyl)benzoate;[2-[4-(4-methylcyclohexyl)benzoyl]oxy-1,2-diphenylethyl] 4-(4-methylcyclohexyl)benzoate;[2-[4-(4-methylcyclohexyl)benzoyl]oxy-2-phenylethyl] 4-(4-methylcyclohexyl)benzoate;[3-[[4-(4-methylcyclohexyl)phenoxy]methoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 4-(4-methylcyclohexyl)benzoate;[4-(2-phenylpropyl)phenyl] 4-methylbenzoate

2-butan-2-yloxy-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-butan-2-yloxy-1,3-difluoro-5-[4-[4-[(E)-3-methylpent-1-enyl]cyclohexyl]phenyl]benzene;[4-(2-methylbutyl)phenyl] 4-(4-methylphenyl)benzoate;[2-[4-(4-methylcyclohexyl)benzoyl]oxy-1,2-diphenylethyl] 4-(4-methylcyclohexyl)benzoate;[2-[4-(4-methylcyclohexyl)benzoyl]oxy-2-phenylethyl] 4-(4-methylcyclohexyl)benzoate;[3-[[4-(4-methylcyclohexyl)phenoxy]methoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 4-(4-methylcyclohexyl)benzoate;[4-(2-phenylpropyl)phenyl] 4-methylbenzoate (PubChem CID 159456017) has the molecular formula C211H250F4O20 and a molecular weight of 3182.29 g/mol. Its IUPAC name is 2-butan-2-yloxy-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-butan-2-yloxy-1,3-difluoro-5-[4-[4-[(E)-3-methylpent-1-enyl]cyclohexyl]phenyl]benzene;[4-(2-methylbutyl)phenyl] 4-(4-methylphenyl)benzoate;[2-[4-(4-methylcyclohexyl)benzoyl]oxy-1,2-diphenylethyl] 4-(4-methylcyclohexyl)benzoate;[2-[4-(4-methylcyclohexyl)benzoyl]oxy-2-phenylethyl] 4-(4-methylcyclohexyl)benzoate;[3-[[4-(4-methylcyclohexyl)phenoxy]methoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 4-(4-methylcyclohexyl)benzoate;[4-(2-phenylpropyl)phenyl] 4-methylbenzoate.

Molecular Properties

Compound Name2-butan-2-yloxy-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-butan-2-yloxy-1,3-difluoro-5-[4-[4-[(E)-3-methylpent-1-enyl]cyclohexyl]phenyl]benzene;[4-(2-methylbutyl)phenyl] 4-(4-methylphenyl)benzoate;[2-[4-(4-methylcyclohexyl)benzoyl]oxy-1,2-diphenylethyl] 4-(4-methylcyclohexyl)benzoate;[2-[4-(4-methylcyclohexyl)benzoyl]oxy-2-phenylethyl] 4-(4-methylcyclohexyl)benzoate;[3-[[4-(4-methylcyclohexyl)phenoxy]methoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 4-(4-methylcyclohexyl)benzoate;[4-(2-phenylpropyl)phenyl] 4-methylbenzoate
PubChem CID159456017
Molecular FormulaC211H250F4O20
Molecular Weight3182.29 g/mol
Exact Mass3179.85
IUPAC Name2-butan-2-yloxy-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-butan-2-yloxy-1,3-difluoro-5-[4-[4-[(E)-3-methylpent-1-enyl]cyclohexyl]phenyl]benzene;[4-(2-methylbutyl)phenyl] 4-(4-methylphenyl)benzoate;[2-[4-(4-methylcyclohexyl)benzoyl]oxy-1,2-diphenylethyl] 4-(4-methylcyclohexyl)benzoate;[2-[4-(4-methylcyclohexyl)benzoyl]oxy-2-phenylethyl] 4-(4-methylcyclohexyl)benzoate;[3-[[4-(4-methylcyclohexyl)phenoxy]methoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 4-(4-methylcyclohexyl)benzoate;[4-(2-phenylpropyl)phenyl] 4-methylbenzoate
SMILESCC1CCC(c2ccc(C(=O)OC(c3ccccc3)C(OC(=O)c3ccc(C4CCC(C)CC4)cc3)c3ccccc3)cc2)CC1.CC1CCC(c2ccc(C(=O)OCC(OC(=O)c3ccc(C4CCC(C)CC4)cc3)c3ccccc3)cc2)CC1.CC1CCC(c2ccc(OCOC3COC4C(OC(=O)c5ccc(C6CCC(C)CC6)cc5)COC34)cc2)CC1.CCC(C)/C=C/C1CCC(c2ccc(-c3cc(F)c(OC(C)CC)c(F)c3)cc2)CC1.CCC(C)Cc1ccc(OC(=O)c2ccc(-c3ccc(C)cc3)cc2)cc1.CCC(C)Oc1c(F)cc(C2CCC(C3CCC(C)CC3)CC2)cc1F.Cc1ccc(C(=O)Oc2ccc(CC(C)c3ccccc3)cc2)cc1
InChIInChI=1S/C42H46O4.C36H42O4.C34H44O6.C28H36F2O.C25H26O2.C23H34F2O.C23H22O2/c1-29-13-17-31(18-14-29)33-21-25-37(26-22-33)41(43)45-39(35-9-5-3-6-10-35)40(36-11-7-4-8-12-36)46-42(44)38-27-23-34(24-28-38)32-19-15-30(2)16-20-32;1-25-8-12-27(13-9-25)29-16-20-32(21-17-29)35(37)39-24-34(31-6-4-3-5-7-31)40-36(38)33-22-18-30(19-23-33)28-14-10-26(2)11-15-28;1-22-3-7-24(8-4-22)26-11-13-28(14-12-26)34(35)40-31-20-37-32-30(19-36-33(31)32)39-21-38-29-17-15-27(16-18-29)25-9-5-23(2)6-10-25;1-5-19(3)7-8-21-9-11-22(12-10-21)23-13-15-24(16-14-23)25-17-26(29)28(27(30)18-25)31-20(4)6-2;1-4-18(2)17-20-7-15-24(16-8-20)27-25(26)23-13-11-22(12-14-23)21-9-5-19(3)6-10-21;1-4-16(3)26-23-21(24)13-20(14-22(23)25)19-11-9-18(10-12-19)17-7-5-15(2)6-8-17;1-17-8-12-21(13-9-17)23(24)25-22-14-10-19(11-15-22)16-18(2)20-6-4-3-5-7-20/h3-12,21-32,39-40H,13-20H2,1-2H3;3-7,16-23,25-28,34H,8-15,24H2,1-2H3;11-18,22-25,30-33H,3-10,19-21H2,1-2H3;7-8,13-22H,5-6,9-12H2,1-4H3;5-16,18H,4,17H2,1-3H3;13-19H,4-12H2,1-3H3;3-15,18H,16H2,1-2H3/b;;;8-7+;;;
InChIKeyLTZCOIPWTQOUSW-UJRMWFDKSA-N
XLogP54.78
TPSA239.48 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds49
Heavy Atoms235
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003182.29
LogP ≤ 554.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 2-butan-2-yloxy-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-butan-2-yloxy-1,3-difluoro-5-[4-[4-[(E)-3-methylpent-1-enyl]cyclohexyl]phenyl]benzene;[4-(2-methylbutyl)phenyl] 4-(4-methylphenyl)benzoate;[2-[4-(4-methylcyclohexyl)benzoyl]oxy-1,2-diphenylethyl] 4-(4-methylcyclohexyl)benzoate;[2-[4-(4-methylcyclohexyl)benzoyl]oxy-2-phenylethyl] 4-(4-methylcyclohexyl)benzoate;[3-[[4-(4-methylcyclohexyl)phenoxy]methoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 4-(4-methylcyclohexyl)benzoate;[4-(2-phenylpropyl)phenyl] 4-methylbenzoate with MolForge

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Related Compounds

4-(4-butan-2-yloxyphenyl)benzonitrile;1,3-difluoro-5-[4-[4-[(E)-3-methylpent-1-enyl]cyclohexyl]phenyl]-2-octan-2-yloxybenzene;1,3-difluoro-2-octan-2-yloxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]decan-2-one;4-[4-(2-methylbutoxy)phenyl]benzonitrile;1-(2-methylbutyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;(4-octan-2-yloxycarbonylphenyl) 4-hexoxybenzoate;(4-pentylphenyl) 4-octan-2-yloxybenzoate;1-phenylpropyl 4-(4-octoxyphenyl)benzoate;1-phenylpropyl 4-(4-pentylphenyl)benzoate
CID 160858546
1,3-difluoro-5-[4-[4-[(E)-3-methylpent-1-enyl]cyclohexyl]phenyl]-2-octan-2-yloxybenzene;1,3-difluoro-2-octan-2-yloxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene;[(3S,8S,9R,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] nonanoate;4-[4-(2-methylbutoxy)phenyl]benzonitrile;4-[4-(2-methylbutyl)phenyl]benzonitrile;1-(2-methylbutyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;(4-octan-2-yloxycarbonylphenyl) 4-hexoxybenzoate;(4-pentylphenyl) 4-octan-2-yloxybenzoate;1-phenylpropyl 4-(4-octoxyphenyl)benzoate;1-phenylpropyl 4-(4-pentylphenyl)benzoate
CID 158964586
1,3-difluoro-5-[4-[4-[(E)-3-methylpent-1-enyl]cyclohexyl]phenyl]-2-octan-2-yloxybenzene;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;4-[4-(2-methylbutoxy)phenyl]benzonitrile;[4-(2-methylbutyl)phenyl] 4-(4-pentylphenyl)benzoate;1-(2-methylbutyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;4-[4-(2-methylpentyl)phenyl]benzonitrile;(4-octan-2-yloxycarbonylphenyl) 4-hexoxybenzoate;[2-[4-(4-pentylcyclohexyl)benzoyl]oxy-2-phenylethyl] 4-(4-pentylcyclohexyl)benzoate;(4-pentylphenyl) 4-octan-2-yloxybenzoate;1-phenylpropyl 4-(4-octoxyphenyl)benzoate;1-phenylpropyl 4-(4-pentylphenyl)benzoate
CID 158216568
1,3-difluoro-5-[4-[4-[(E)-3-methylpent-1-enyl]cyclohexyl]phenyl]-2-octan-2-yloxybenzene;[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] decanoate;4-[4-(2-methylbutoxy)phenyl]benzonitrile;4-[4-(2-methylbutyl)phenyl]benzonitrile;1-(2-methylbutyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;(4-octan-2-yloxycarbonylphenyl) 4-hexoxybenzoate;(4-pentylphenyl) 4-octan-2-yloxybenzoate;1-phenylpropyl 4-(4-butylphenyl)benzoate;1-phenylpropyl 4-(4-octoxyphenyl)benzoate
CID 157372531
(4-hexylphenyl) 4-octan-2-yloxybenzoate;4-[4-(2-methylbutoxy)phenyl]benzonitrile;4-[4-(2-methylbutyl)phenyl]benzonitrile;1-(2-methylbut-3-ynyl)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;molecular hydrogen;(4-octan-2-yloxycarbonylphenyl) 4-methylbenzoate;[2-[[4-(4-pentylcyclohexyl)phenyl]methylperoxy]-1-phenylethyl] 4-(4-methylcyclohexyl)benzoate;1-phenylpropyl 4-(4-methylphenyl)benzoate;1-phenylpropyl 4-(4-pentylphenyl)benzoate
CID 158581638
1,3-difluoro-5-[4-[4-(3-methylbut-1-enyl)cyclohexyl]phenyl]-2-propan-2-yloxybenzene;1-(4-methoxypentan-2-yloxy)-4-(4-propylcyclohexyl)benzene;1-(4-methoxypentan-2-yloxy)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;2-methylbutyl 4-(4-prop-2-enoyloxyphenyl)benzoate;[4-(4-methylcyclohexyl)phenyl] 4-(4-prop-2-enoyloxypentan-2-yloxy)benzoate;(4-pentylphenyl) 4-propan-2-yloxybenzoate;(4-propan-2-yloxycarbonylphenyl) 4-methoxybenzoate;propan-2-yl 4-(4-prop-2-enoyloxyphenyl)benzoate
CID 159921400
1,3-difluoro-2-propan-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;[3-hydroperoxy-3-[4-(4-methylcyclohexyl)phenyl]-2-phenylpropyl] 4-(4-pentylcyclohexyl)benzoate;1-(2-methylbutyl)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1-methyl-4-[4-(2-methylbutoxy)phenyl]benzene;1-methyl-4-[4-(2-methylbutyl)phenyl]benzene;(4-methylphenyl) 4-octan-2-yloxybenzoate;(4-octan-2-yloxycarbonylphenyl) 4-methylbenzoate;1-phenylpropyl 4-(4-methylphenyl)benzoate;1-phenylpropyl 4-(4-pentylphenyl)benzoate
CID 163652603
2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-oct-1-yn-3-yloxybenzene;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;4-[4-(2-methylbutoxy)phenyl]benzonitrile;4-[4-(2-methylbutyl)phenyl]benzonitrile;molecular hydrogen;(4-octan-2-yloxycarbonylphenyl) 4-hexoxybenzoate;[2-[[4-(4-pentylcyclohexyl)phenyl]methylperoxy]-2-phenylethyl] 4-(4-pentylcyclohexyl)benzoate;2-[[4-(4-pentylcyclohexyl)phenyl]methylperoxy]propyl 4-(4-pentylcyclohexyl)benzoate
CID 161487040
1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]-2-octan-2-yloxybenzene;methane;4-[4-(2-methylpropyl)phenyl]benzonitrile;octan-2-yl 4-(4-methoxyphenyl)benzoate;(4-octan-2-yloxycarbonylphenyl) 4-hexoxybenzoate;(17-octan-2-yl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate;[2-[4-(4-pentylcyclohexyl)benzoyl]oxy-2-phenylethyl] 4-(4-pentylcyclohexyl)benzoate
CID 161342330
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
[3-[2-[4-[1-(2-methoxy-2-oxoethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]acetyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 4-(4-butylcyclohexyl)benzoate;[2-[2-[4-[1-(2-methoxy-2-oxoethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]acetyl]oxy-1-phenylethyl] 4-(4-octylcyclohexyl)benzoate;1-[4-(2-methyloctyl)phenyl]-4-[1-(4-octan-2-yloxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium;octan-2-yl 2-[4-[1-(2-octan-2-yloxy-2-oxoethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]acetate;[2-[4-(4-octylcyclohexyl)cyclohexanecarbonyl]oxy-1,2-diphenylethyl] 9,10-dioxoanthracene-2-carboxylate
CID 157280677
1,3-difluoro-5-[4-[4-[(E)-3-methylpent-1-enyl]cyclohexyl]phenyl]-2-octan-2-yloxybenzene
CID 20750952

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yloxy-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-butan-2-yloxy-1,3-difluoro-5-[4-[4-[(E)-3-methylpent-1-enyl]cyclohexyl]phenyl]benzene;[4-(2-methylbutyl)phenyl] 4-(4-methylphenyl)benzoate;[2-[4-(4-methylcyclohexyl)benzoyl]oxy-1,2-diphenylethyl] 4-(4-methylcyclohexyl)benzoate;[2-[4-(4-methylcyclohexyl)benzoyl]oxy-2-phenylethyl] 4-(4-methylcyclohexyl)benzoate;[3-[[4-(4-methylcyclohexyl)phenoxy]methoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 4-(4-methylcyclohexyl)benzoate;[4-(2-phenylpropyl)phenyl] 4-methylbenzoate?
The IUPAC name of 2-butan-2-yloxy-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-butan-2-yloxy-1,3-difluoro-5-[4-[4-[(E)-3-methylpent-1-enyl]cyclohexyl]phenyl]benzene;[4-(2-methylbutyl)phenyl] 4-(4-methylphenyl)benzoate;[2-[4-(4-methylcyclohexyl)benzoyl]oxy-1,2-diphenylethyl] 4-(4-methylcyclohexyl)benzoate;[2-[4-(4-methylcyclohexyl)benzoyl]oxy-2-phenylethyl] 4-(4-methylcyclohexyl)benzoate;[3-[[4-(4-methylcyclohexyl)phenoxy]methoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 4-(4-methylcyclohexyl)benzoate;[4-(2-phenylpropyl)phenyl] 4-methylbenzoate (CID 159456017) is 2-butan-2-yloxy-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-butan-2-yloxy-1,3-difluoro-5-[4-[4-[(E)-3-methylpent-1-enyl]cyclohexyl]phenyl]benzene;[4-(2-methylbutyl)phenyl] 4-(4-methylphenyl)benzoate;[2-[4-(4-methylcyclohexyl)benzoyl]oxy-1,2-diphenylethyl] 4-(4-methylcyclohexyl)benzoate;[2-[4-(4-methylcyclohexyl)benzoyl]oxy-2-phenylethyl] 4-(4-methylcyclohexyl)benzoate;[3-[[4-(4-methylcyclohexyl)phenoxy]methoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 4-(4-methylcyclohexyl)benzoate;[4-(2-phenylpropyl)phenyl] 4-methylbenzoate.
What is the SMILES notation for 2-butan-2-yloxy-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-butan-2-yloxy-1,3-difluoro-5-[4-[4-[(E)-3-methylpent-1-enyl]cyclohexyl]phenyl]benzene;[4-(2-methylbutyl)phenyl] 4-(4-methylphenyl)benzoate;[2-[4-(4-methylcyclohexyl)benzoyl]oxy-1,2-diphenylethyl] 4-(4-methylcyclohexyl)benzoate;[2-[4-(4-methylcyclohexyl)benzoyl]oxy-2-phenylethyl] 4-(4-methylcyclohexyl)benzoate;[3-[[4-(4-methylcyclohexyl)phenoxy]methoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 4-(4-methylcyclohexyl)benzoate;[4-(2-phenylpropyl)phenyl] 4-methylbenzoate?
The canonical SMILES for 2-butan-2-yloxy-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-butan-2-yloxy-1,3-difluoro-5-[4-[4-[(E)-3-methylpent-1-enyl]cyclohexyl]phenyl]benzene;[4-(2-methylbutyl)phenyl] 4-(4-methylphenyl)benzoate;[2-[4-(4-methylcyclohexyl)benzoyl]oxy-1,2-diphenylethyl] 4-(4-methylcyclohexyl)benzoate;[2-[4-(4-methylcyclohexyl)benzoyl]oxy-2-phenylethyl] 4-(4-methylcyclohexyl)benzoate;[3-[[4-(4-methylcyclohexyl)phenoxy]methoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 4-(4-methylcyclohexyl)benzoate;[4-(2-phenylpropyl)phenyl] 4-methylbenzoate is CC1CCC(c2ccc(C(=O)OC(c3ccccc3)C(OC(=O)c3ccc(C4CCC(C)CC4)cc3)c3ccccc3)cc2)CC1.CC1CCC(c2ccc(C(=O)OCC(OC(=O)c3ccc(C4CCC(C)CC4)cc3)c3ccccc3)cc2)CC1.CC1CCC(c2ccc(OCOC3COC4C(OC(=O)c5ccc(C6CCC(C)CC6)cc5)COC34)cc2)CC1.CCC(C)/C=C/C1CCC(c2ccc(-c3cc(F)c(OC(C)CC)c(F)c3)cc2)CC1.CCC(C)Cc1ccc(OC(=O)c2ccc(-c3ccc(C)cc3)cc2)cc1.CCC(C)Oc1c(F)cc(C2CCC(C3CCC(C)CC3)CC2)cc1F.Cc1ccc(C(=O)Oc2ccc(CC(C)c3ccccc3)cc2)cc1.
What is the InChIKey of 2-butan-2-yloxy-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-butan-2-yloxy-1,3-difluoro-5-[4-[4-[(E)-3-methylpent-1-enyl]cyclohexyl]phenyl]benzene;[4-(2-methylbutyl)phenyl] 4-(4-methylphenyl)benzoate;[2-[4-(4-methylcyclohexyl)benzoyl]oxy-1,2-diphenylethyl] 4-(4-methylcyclohexyl)benzoate;[2-[4-(4-methylcyclohexyl)benzoyl]oxy-2-phenylethyl] 4-(4-methylcyclohexyl)benzoate;[3-[[4-(4-methylcyclohexyl)phenoxy]methoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 4-(4-methylcyclohexyl)benzoate;[4-(2-phenylpropyl)phenyl] 4-methylbenzoate?
The InChIKey is LTZCOIPWTQOUSW-UJRMWFDKSA-N. The full InChI is InChI=1S/C42H46O4.C36H42O4.C34H44O6.C28H36F2O.C25H26O2.C23H34F2O.C23H22O2/c1-29-13-17-31(18-14-29)33-21-25-37(26-22-33)41(43)45-39(35-9-5-3-6-10-35)40(36-11-7-4-8-12-36)46-42(44)38-27-23-34(24-28-38)32-19-15-30(2)16-20-32;1-25-8-12-27(13-9-25)29-16-20-32(21-17-29)35(37)39-24-34(31-6-4-3-5-7-31)40-36(38)33-22-18-30(19-23-33)28-14-10-26(2)11-15-28;1-22-3-7-24(8-4-22)26-11-13-28(14-12-26)34(35)40-31-20-37-32-30(19-36-33(31)32)39-21-38-29-17-15-27(16-18-29)25-9-5-23(2)6-10-25;1-5-19(3)7-8-21-9-11-22(12-10-21)23-13-15-24(16-14-23)25-17-26(29)28(27(30)18-25)31-20(4)6-2;1-4-18(2)17-20-7-15-24(16-8-20)27-25(26)23-13-11-22(12-14-23)21-9-5-19(3)6-10-21;1-4-16(3)26-23-21(24)13-20(14-22(23)25)19-11-9-18(10-12-19)17-7-5-15(2)6-8-17;1-17-8-12-21(13-9-17)23(24)25-22-14-10-19(11-15-22)16-18(2)20-6-4-3-5-7-20/h3-12,21-32,39-40H,13-20H2,1-2H3;3-7,16-23,25-28,34H,8-15,24H2,1-2H3;11-18,22-25,30-33H,3-10,19-21H2,1-2H3;7-8,13-22H,5-6,9-12H2,1-4H3;5-16,18H,4,17H2,1-3H3;13-19H,4-12H2,1-3H3;3-15,18H,16H2,1-2H3/b;;;8-7+;;;.
What are the key properties of 2-butan-2-yloxy-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-butan-2-yloxy-1,3-difluoro-5-[4-[4-[(E)-3-methylpent-1-enyl]cyclohexyl]phenyl]benzene;[4-(2-methylbutyl)phenyl] 4-(4-methylphenyl)benzoate;[2-[4-(4-methylcyclohexyl)benzoyl]oxy-1,2-diphenylethyl] 4-(4-methylcyclohexyl)benzoate;[2-[4-(4-methylcyclohexyl)benzoyl]oxy-2-phenylethyl] 4-(4-methylcyclohexyl)benzoate;[3-[[4-(4-methylcyclohexyl)phenoxy]methoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 4-(4-methylcyclohexyl)benzoate;[4-(2-phenylpropyl)phenyl] 4-methylbenzoate?
2-butan-2-yloxy-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-butan-2-yloxy-1,3-difluoro-5-[4-[4-[(E)-3-methylpent-1-enyl]cyclohexyl]phenyl]benzene;[4-(2-methylbutyl)phenyl] 4-(4-methylphenyl)benzoate;[2-[4-(4-methylcyclohexyl)benzoyl]oxy-1,2-diphenylethyl] 4-(4-methylcyclohexyl)benzoate;[2-[4-(4-methylcyclohexyl)benzoyl]oxy-2-phenylethyl] 4-(4-methylcyclohexyl)benzoate;[3-[[4-(4-methylcyclohexyl)phenoxy]methoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 4-(4-methylcyclohexyl)benzoate;[4-(2-phenylpropyl)phenyl] 4-methylbenzoate has a molecular weight of 3182.29 g/mol, XLogP of 54.78, 49 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxy-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-butan-2-yloxy-1,3-difluoro-5-[4-[4-[(E)-3-methylpent-1-enyl]cyclohexyl]phenyl]benzene;[4-(2-methylbutyl)phenyl] 4-(4-methylphenyl)benzoate;[2-[4-(4-methylcyclohexyl)benzoyl]oxy-1,2-diphenylethyl] 4-(4-methylcyclohexyl)benzoate;[2-[4-(4-methylcyclohexyl)benzoyl]oxy-2-phenylethyl] 4-(4-methylcyclohexyl)benzoate;[3-[[4-(4-methylcyclohexyl)phenoxy]methoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 4-(4-methylcyclohexyl)benzoate;[4-(2-phenylpropyl)phenyl] 4-methylbenzoate is sourced from PubChem (CID 159456017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).