1-butyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-(4-propylcyclohexyl)cyclohexane;[4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;1-methyl-4-(4-pentylphenyl)benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-propyl-4-(4-propylcyclohexyl)cyclohexane;1-propyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene

C138H213FO4 — CID 158191473

IUPAC1-butyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-(4-propylcyclohexyl)cyclohexane;[4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;1-methyl-4-(4-pentylphenyl)benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-propyl-4-(4-propylcyclohexyl)cyclohexane;1-propyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
SMILESC=C(C)C(=O)Oc1ccc(-c2ccc(OC(=O)C(=C)C)c(F)c2)cc1.CCCC1CCC(C2CCC(CC)CC2)CC1.CCCC1CCC(C2CCC(CCC)CC2)CC1.CCCC1CCC(C2CCC(c3ccc(C)cc3)CC2)CC1.CCCCC1CCC(C2CCC(CCC)CC2)CC1.CCCCCc1ccc(-c2ccc(C)cc2)cc1.CCCc1ccc(C2CCC(C3CCC(CCC)CC3)CC2)cc1
InChIInChI=1S/C24H38.C22H34.C20H17FO4.C19H36.C18H22.C18H34.C17H32/c1-3-5-19-7-11-21(12-8-19)23-15-17-24(18-16-23)22-13-9-20(6-4-2)10-14-22;1-3-4-18-7-11-20(12-8-18)22-15-13-21(14-16-22)19-9-5-17(2)6-10-19;1-12(2)19(22)24-16-8-5-14(6-9-16)15-7-10-18(17(21)11-15)25-20(23)13(3)4;1-3-5-7-17-10-14-19(15-11-17)18-12-8-16(6-4-2)9-13-18;1-3-4-5-6-16-9-13-18(14-10-16)17-11-7-15(2)8-12-17;1-3-5-15-7-11-17(12-8-15)18-13-9-16(6-4-2)10-14-18;1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16/h7-8,11-12,20,22-24H,3-6,9-10,13-18H2,1-2H3;5-6,9-10,18,20-22H,3-4,7-8,11-16H2,1-2H3;5-11H,1,3H2,2,4H3;16-19H,3-15H2,1-2H3;7-14H,3-6H2,1-2H3;15-18H,3-14H2,1-2H3;14-17H,3-13H2,1-2H3
InChIKeyFZUPRNSBJVHPEF-UHFFFAOYSA-N
MW1955.22 g/mol
LogP42.84
Rot. Bonds35

About 1-butyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-(4-propylcyclohexyl)cyclohexane;[4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;1-methyl-4-(4-pentylphenyl)benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-propyl-4-(4-propylcyclohexyl)cyclohexane;1-propyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene

1-butyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-(4-propylcyclohexyl)cyclohexane;[4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;1-methyl-4-(4-pentylphenyl)benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-propyl-4-(4-propylcyclohexyl)cyclohexane;1-propyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene (PubChem CID 158191473) has the molecular formula C138H213FO4 and a molecular weight of 1955.22 g/mol. Its IUPAC name is 1-butyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-(4-propylcyclohexyl)cyclohexane;[4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;1-methyl-4-(4-pentylphenyl)benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-propyl-4-(4-propylcyclohexyl)cyclohexane;1-propyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene.

Molecular Properties

Compound Name1-butyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-(4-propylcyclohexyl)cyclohexane;[4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;1-methyl-4-(4-pentylphenyl)benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-propyl-4-(4-propylcyclohexyl)cyclohexane;1-propyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
PubChem CID158191473
Molecular FormulaC138H213FO4
Molecular Weight1955.22 g/mol
Exact Mass1953.64
IUPAC Name1-butyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-(4-propylcyclohexyl)cyclohexane;[4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;1-methyl-4-(4-pentylphenyl)benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-propyl-4-(4-propylcyclohexyl)cyclohexane;1-propyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
SMILESC=C(C)C(=O)Oc1ccc(-c2ccc(OC(=O)C(=C)C)c(F)c2)cc1.CCCC1CCC(C2CCC(CC)CC2)CC1.CCCC1CCC(C2CCC(CCC)CC2)CC1.CCCC1CCC(C2CCC(c3ccc(C)cc3)CC2)CC1.CCCCC1CCC(C2CCC(CCC)CC2)CC1.CCCCCc1ccc(-c2ccc(C)cc2)cc1.CCCc1ccc(C2CCC(C3CCC(CCC)CC3)CC2)cc1
InChIInChI=1S/C24H38.C22H34.C20H17FO4.C19H36.C18H22.C18H34.C17H32/c1-3-5-19-7-11-21(12-8-19)23-15-17-24(18-16-23)22-13-9-20(6-4-2)10-14-22;1-3-4-18-7-11-20(12-8-18)22-15-13-21(14-16-22)19-9-5-17(2)6-10-19;1-12(2)19(22)24-16-8-5-14(6-9-16)15-7-10-18(17(21)11-15)25-20(23)13(3)4;1-3-5-7-17-10-14-19(15-11-17)18-12-8-16(6-4-2)9-13-18;1-3-4-5-6-16-9-13-18(14-10-16)17-11-7-15(2)8-12-17;1-3-5-15-7-11-17(12-8-15)18-13-9-16(6-4-2)10-14-18;1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16/h7-8,11-12,20,22-24H,3-6,9-10,13-18H2,1-2H3;5-6,9-10,18,20-22H,3-4,7-8,11-16H2,1-2H3;5-11H,1,3H2,2,4H3;16-19H,3-15H2,1-2H3;7-14H,3-6H2,1-2H3;15-18H,3-14H2,1-2H3;14-17H,3-13H2,1-2H3
InChIKeyFZUPRNSBJVHPEF-UHFFFAOYSA-N
XLogP42.84
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds35
Heavy Atoms143
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001955.22
LogP ≤ 542.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 1-butyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-(4-propylcyclohexyl)cyclohexane;[4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;1-methyl-4-(4-pentylphenyl)benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-propyl-4-(4-propylcyclohexyl)cyclohexane;1-propyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene with MolForge

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Related Compounds

1-butyl-4-[2-[4-[4-(4-butylcyclohexyl)phenyl]phenyl]ethynyl]benzene;(4-butylphenyl) 4-[2-(4-butylphenyl)ethynyl]benzoate;1,2-difluoro-4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethynyl]benzene;1,2-difluoro-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene;(4-ethylphenyl) 4-[2-(4-propylphenyl)ethynyl]benzoate;1-(4-hexylcyclohexyl)-4-[4-[2-(4-pentylphenyl)ethynyl]phenyl]benzene;1-methyl-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene;bis(1-pentyl-4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethynyl]benzene);(4-pentylphenyl) 4-[2-(4-hexylphenyl)ethynyl]benzoate;(4-pentylphenyl) 4-[2-(4-pentylphenyl)ethynyl]benzoate;1-pentyl-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene;(4-propylphenyl) 4-[2-(4-pentylphenyl)ethynyl]benzoate;(4-propylphenyl) 4-[2-(4-propylphenyl)ethynyl]benzoate
CID 161382018
1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-methylbenzene;(3,4-difluorophenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate;4-[2-fluoro-4-(4-propylphenyl)phenyl]benzonitrile;[4-[2-(4-methylphenyl)ethynyl]phenyl] 4-propylcyclohexane-1-carboxylate;[4-[2-(4-pentylphenyl)ethynyl]phenyl] 4-propylcyclohexane-1-carboxylate;[4-(4-propylcyclohexyl)phenyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
CID 158854286
tris(4-[4-(4-butylcyclohexyl)phenyl]-2-fluoro-1-(4-methylphenyl)benzene);tris(4-[4-(4-ethylcyclohexyl)phenyl]-2-fluoro-1-(4-methylphenyl)benzene);bis(2-fluoro-1-(4-methylphenyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene);tris(2-fluoro-1-(4-methylphenyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene)
CID 160613322
1-[4-(4-butylcyclohexyl)cyclohexyl]-4-methylbenzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-methylbenzene;methane;1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 160680603
[4-[4-(2-methylprop-2-enoyloxy)-3-[4-(4-propylcyclohexyl)phenyl]phenyl]phenyl] 2-(methoxymethyl)prop-2-enoate
CID 146668096
1,3-difluoro-5-propyl-2-[2-[4-(4-propylphenyl)phenyl]ethynyl]benzene;[4-(4-propylcyclohexyl)phenyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
CID 159594681
[4-[4-(4-octylphenyl)phenyl]phenyl] 2-methylprop-2-enoate
CID 159911565
1-butyl-4-(4-propylcyclohexyl)benzene;1-ethoxy-4-(4-propylcyclohexyl)benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 159548432
1-heptyl-4-(4-methylphenyl)benzene;1-(4-hexylcyclohexyl)-4-methylbenzene;methane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene;1-methyl-4-(4-pentylphenyl)benzene;1-methyl-4-[4-(4-pentylphenyl)phenyl]benzene
CID 161465847
1-nonyl-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 20539381
[4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate
CID 20751930
tris(1-(4-butylcyclohexyl)-4-methylbenzene);tetrakis(1-(4-ethylcyclohexyl)-4-methylbenzene);tetrakis(1-methyl-4-(4-propylcyclohexyl)benzene)
CID 158284409

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-(4-propylcyclohexyl)cyclohexane;[4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;1-methyl-4-(4-pentylphenyl)benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-propyl-4-(4-propylcyclohexyl)cyclohexane;1-propyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The IUPAC name of 1-butyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-(4-propylcyclohexyl)cyclohexane;[4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;1-methyl-4-(4-pentylphenyl)benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-propyl-4-(4-propylcyclohexyl)cyclohexane;1-propyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene (CID 158191473) is 1-butyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-(4-propylcyclohexyl)cyclohexane;[4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;1-methyl-4-(4-pentylphenyl)benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-propyl-4-(4-propylcyclohexyl)cyclohexane;1-propyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene.
What is the SMILES notation for 1-butyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-(4-propylcyclohexyl)cyclohexane;[4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;1-methyl-4-(4-pentylphenyl)benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-propyl-4-(4-propylcyclohexyl)cyclohexane;1-propyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The canonical SMILES for 1-butyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-(4-propylcyclohexyl)cyclohexane;[4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;1-methyl-4-(4-pentylphenyl)benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-propyl-4-(4-propylcyclohexyl)cyclohexane;1-propyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene is C=C(C)C(=O)Oc1ccc(-c2ccc(OC(=O)C(=C)C)c(F)c2)cc1.CCCC1CCC(C2CCC(CC)CC2)CC1.CCCC1CCC(C2CCC(CCC)CC2)CC1.CCCC1CCC(C2CCC(c3ccc(C)cc3)CC2)CC1.CCCCC1CCC(C2CCC(CCC)CC2)CC1.CCCCCc1ccc(-c2ccc(C)cc2)cc1.CCCc1ccc(C2CCC(C3CCC(CCC)CC3)CC2)cc1.
What is the InChIKey of 1-butyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-(4-propylcyclohexyl)cyclohexane;[4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;1-methyl-4-(4-pentylphenyl)benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-propyl-4-(4-propylcyclohexyl)cyclohexane;1-propyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The InChIKey is FZUPRNSBJVHPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38.C22H34.C20H17FO4.C19H36.C18H22.C18H34.C17H32/c1-3-5-19-7-11-21(12-8-19)23-15-17-24(18-16-23)22-13-9-20(6-4-2)10-14-22;1-3-4-18-7-11-20(12-8-18)22-15-13-21(14-16-22)19-9-5-17(2)6-10-19;1-12(2)19(22)24-16-8-5-14(6-9-16)15-7-10-18(17(21)11-15)25-20(23)13(3)4;1-3-5-7-17-10-14-19(15-11-17)18-12-8-16(6-4-2)9-13-18;1-3-4-5-6-16-9-13-18(14-10-16)17-11-7-15(2)8-12-17;1-3-5-15-7-11-17(12-8-15)18-13-9-16(6-4-2)10-14-18;1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16/h7-8,11-12,20,22-24H,3-6,9-10,13-18H2,1-2H3;5-6,9-10,18,20-22H,3-4,7-8,11-16H2,1-2H3;5-11H,1,3H2,2,4H3;16-19H,3-15H2,1-2H3;7-14H,3-6H2,1-2H3;15-18H,3-14H2,1-2H3;14-17H,3-13H2,1-2H3.
What are the key properties of 1-butyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-(4-propylcyclohexyl)cyclohexane;[4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;1-methyl-4-(4-pentylphenyl)benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-propyl-4-(4-propylcyclohexyl)cyclohexane;1-propyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
1-butyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-(4-propylcyclohexyl)cyclohexane;[4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;1-methyl-4-(4-pentylphenyl)benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-propyl-4-(4-propylcyclohexyl)cyclohexane;1-propyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene has a molecular weight of 1955.22 g/mol, XLogP of 42.84, 35 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-(4-propylcyclohexyl)cyclohexane;[4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;1-methyl-4-(4-pentylphenyl)benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-propyl-4-(4-propylcyclohexyl)cyclohexane;1-propyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene is sourced from PubChem (CID 158191473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).