2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]-1-[2-(4-methylphenyl)ethynyl]benzene;2-fluoro-4-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)phenyl]benzene;2-fluoro-4-(4-methylcyclohexyl)-1-[2-(4-methylphenyl)ethynyl]benzene;1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;1-methyl-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]benzene;(4-methylphenyl) 4-(4-methylcyclohexanecarbonyl)oxybenzoate

C166H193F3O4 — CID 159008864

IUPAC2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]-1-[2-(4-methylphenyl)ethynyl]benzene;2-fluoro-4-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)phenyl]benzene;2-fluoro-4-(4-methylcyclohexyl)-1-[2-(4-methylphenyl)ethynyl]benzene;1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;1-methyl-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]benzene;(4-methylphenyl) 4-(4-methylcyclohexanecarbonyl)oxybenzoate
SMILESCC1CCC(c2ccc(-c3ccc(C4CCC(C)CC4)cc3)cc2)CC1.CC1CCC(c2ccc(-c3ccc(C4CCC(C)CC4)cc3F)cc2)CC1.Cc1ccc(C#Cc2ccc(C3CCC(C)CC3)cc2)cc1.Cc1ccc(C#Cc2ccc(C3CCC(C)CC3)cc2F)cc1.Cc1ccc(C#Cc2ccc(CCC3CCC(C)CC3)cc2)cc1.Cc1ccc(C#Cc2ccc(CCC3CCC(C)CC3)cc2F)cc1.Cc1ccc(OC(=O)c2ccc(OC(=O)C3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C26H33F.C26H34.C24H27F.C24H28.C22H23F.C22H24O4.C22H24/c1-18-3-7-20(8-4-18)21-11-13-23(14-12-21)25-16-15-24(17-26(25)27)22-9-5-19(2)6-10-22;1-19-3-7-21(8-4-19)23-11-15-25(16-12-23)26-17-13-24(14-18-26)22-9-5-20(2)6-10-22;1-18-3-7-20(8-4-18)11-12-22-14-16-23(24(25)17-22)15-13-21-9-5-19(2)6-10-21;1-19-3-7-21(8-4-19)11-13-23-15-17-24(18-16-23)14-12-22-9-5-20(2)6-10-22;1-16-3-7-18(8-4-16)9-12-20-13-14-21(15-22(20)23)19-10-5-17(2)6-11-19;1-15-3-7-17(8-4-15)21(23)26-20-13-9-18(10-14-20)22(24)25-19-11-5-16(2)6-12-19;1-17-3-7-19(8-4-17)9-10-20-11-15-22(16-12-20)21-13-5-18(2)6-14-21/h11-20,22H,3-10H2,1-2H3;11-22H,3-10H2,1-2H3;5-6,9-10,14,16-18,20H,3-4,7-8,11-12H2,1-2H3;3-4,7-8,15-18,20,22H,5-6,9-10,12,14H2,1-2H3;3-4,7-8,13-15,17,19H,5-6,10-11H2,1-2H3;5-6,9-15,17H,3-4,7-8H2,1-2H3;3-4,7-8,11-12,15-16,18,21H,5-6,13-14H2,1-2H3
InChIKeyJSGKBAUYVUCELY-UHFFFAOYSA-N
MW2309.36 g/mol
LogP44.93
Rot. Bonds18

About 2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]-1-[2-(4-methylphenyl)ethynyl]benzene;2-fluoro-4-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)phenyl]benzene;2-fluoro-4-(4-methylcyclohexyl)-1-[2-(4-methylphenyl)ethynyl]benzene;1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;1-methyl-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]benzene;(4-methylphenyl) 4-(4-methylcyclohexanecarbonyl)oxybenzoate

2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]-1-[2-(4-methylphenyl)ethynyl]benzene;2-fluoro-4-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)phenyl]benzene;2-fluoro-4-(4-methylcyclohexyl)-1-[2-(4-methylphenyl)ethynyl]benzene;1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;1-methyl-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]benzene;(4-methylphenyl) 4-(4-methylcyclohexanecarbonyl)oxybenzoate (PubChem CID 159008864) has the molecular formula C166H193F3O4 and a molecular weight of 2309.36 g/mol. Its IUPAC name is 2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]-1-[2-(4-methylphenyl)ethynyl]benzene;2-fluoro-4-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)phenyl]benzene;2-fluoro-4-(4-methylcyclohexyl)-1-[2-(4-methylphenyl)ethynyl]benzene;1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;1-methyl-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]benzene;(4-methylphenyl) 4-(4-methylcyclohexanecarbonyl)oxybenzoate.

Molecular Properties

Compound Name2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]-1-[2-(4-methylphenyl)ethynyl]benzene;2-fluoro-4-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)phenyl]benzene;2-fluoro-4-(4-methylcyclohexyl)-1-[2-(4-methylphenyl)ethynyl]benzene;1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;1-methyl-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]benzene;(4-methylphenyl) 4-(4-methylcyclohexanecarbonyl)oxybenzoate
PubChem CID159008864
Molecular FormulaC166H193F3O4
Molecular Weight2309.36 g/mol
Exact Mass2307.49
IUPAC Name2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]-1-[2-(4-methylphenyl)ethynyl]benzene;2-fluoro-4-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)phenyl]benzene;2-fluoro-4-(4-methylcyclohexyl)-1-[2-(4-methylphenyl)ethynyl]benzene;1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;1-methyl-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]benzene;(4-methylphenyl) 4-(4-methylcyclohexanecarbonyl)oxybenzoate
SMILESCC1CCC(c2ccc(-c3ccc(C4CCC(C)CC4)cc3)cc2)CC1.CC1CCC(c2ccc(-c3ccc(C4CCC(C)CC4)cc3F)cc2)CC1.Cc1ccc(C#Cc2ccc(C3CCC(C)CC3)cc2)cc1.Cc1ccc(C#Cc2ccc(C3CCC(C)CC3)cc2F)cc1.Cc1ccc(C#Cc2ccc(CCC3CCC(C)CC3)cc2)cc1.Cc1ccc(C#Cc2ccc(CCC3CCC(C)CC3)cc2F)cc1.Cc1ccc(OC(=O)c2ccc(OC(=O)C3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C26H33F.C26H34.C24H27F.C24H28.C22H23F.C22H24O4.C22H24/c1-18-3-7-20(8-4-18)21-11-13-23(14-12-21)25-16-15-24(17-26(25)27)22-9-5-19(2)6-10-22;1-19-3-7-21(8-4-19)23-11-15-25(16-12-23)26-17-13-24(14-18-26)22-9-5-20(2)6-10-22;1-18-3-7-20(8-4-18)11-12-22-14-16-23(24(25)17-22)15-13-21-9-5-19(2)6-10-21;1-19-3-7-21(8-4-19)11-13-23-15-17-24(18-16-23)14-12-22-9-5-20(2)6-10-22;1-16-3-7-18(8-4-16)9-12-20-13-14-21(15-22(20)23)19-10-5-17(2)6-11-19;1-15-3-7-17(8-4-15)21(23)26-20-13-9-18(10-14-20)22(24)25-19-11-5-16(2)6-12-19;1-17-3-7-19(8-4-17)9-10-20-11-15-22(16-12-20)21-13-5-18(2)6-14-21/h11-20,22H,3-10H2,1-2H3;11-22H,3-10H2,1-2H3;5-6,9-10,14,16-18,20H,3-4,7-8,11-12H2,1-2H3;3-4,7-8,15-18,20,22H,5-6,9-10,12,14H2,1-2H3;3-4,7-8,13-15,17,19H,5-6,10-11H2,1-2H3;5-6,9-15,17H,3-4,7-8H2,1-2H3;3-4,7-8,11-12,15-16,18,21H,5-6,13-14H2,1-2H3
InChIKeyJSGKBAUYVUCELY-UHFFFAOYSA-N
XLogP44.93
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms173
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002309.36
LogP ≤ 544.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]-1-[2-(4-methylphenyl)ethynyl]benzene;2-fluoro-4-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)phenyl]benzene;2-fluoro-4-(4-methylcyclohexyl)-1-[2-(4-methylphenyl)ethynyl]benzene;1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;1-methyl-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]benzene;(4-methylphenyl) 4-(4-methylcyclohexanecarbonyl)oxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-cyano-3-fluorophenyl) 4-(4-methylcyclohexyl)benzoate;[4-(4-cyanophenyl)phenyl] 4-(4-methylcyclohexyl)benzoate;[4-(4-cyanophenyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;2-(3,4-difluorophenyl)-5-methylpyrimidine;2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzonitrile;2-fluoro-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzonitrile;2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]benzonitrile;2-(4-fluorophenyl)-5-methylpyrimidine;2-[4-(4-fluorophenyl)phenyl]-5-methylpyrimidine;4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzonitrile;4-[4-(4-methylcyclohexyl)phenyl]benzonitrile;4-[4-(4-methylphenyl)phenyl]benzonitrile;4-[5-(4-methylphenyl)pyrimidin-2-yl]benzonitrile
CID 160511813
(4-cyano-3-fluorophenyl) 4-(4-methylcyclohexyl)benzoate;[4-(4-cyanophenyl)phenyl] 4-(4-methylcyclohexyl)benzoate;[4-(4-cyanophenyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;(3,4-difluorophenyl) 4-methylcyclohexane-1-carboxylate;2-(3,4-difluorophenyl)-5-methylpyrimidine;2-fluoro-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzonitrile;(4-fluorophenyl) 4-methylcyclohexane-1-carboxylate;2-(4-fluorophenyl)-5-methylpyrimidine;2-[4-(4-fluorophenyl)phenyl]-5-methylpyrimidine;4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzonitrile;4-[4-(4-methylphenyl)phenyl]benzonitrile;4-[5-(4-methylphenyl)pyrimidin-2-yl]benzonitrile
CID 159706781
(4-propylphenyl) 4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]benzoate
CID 18596409
2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]-1-[2-(4-methylphenyl)ethynyl]benzene
CID 21136689
1,3-difluoro-2-methyl-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;1,3-difluoro-2-methyl-5-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene;1,3-difluoro-2-methyl-5-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;2-fluoro-1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene;2-fluoro-1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;(3-fluoro-4-methylphenyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene;1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;(4-methylphenyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate
CID 160899076
(3-fluoro-4-methylphenyl) 4-(4-methylcyclohexyl)benzoate;(3-fluoro-4-methylphenyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;1,2,3-trimethyl-5-(4-methylcyclohexyl)benzene;1,2,3-trimethyl-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1,2,3-trimethyl-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;1,2,3-trimethyl-5-[4-(4-methylcyclohexyl)phenyl]benzene;1,2,3-trimethyl-5-(4-methylphenyl)benzene;1,2,3-trimethyl-5-[4-(4-methylphenyl)phenyl]benzene
CID 158044869
(4-cyano-3,5-dimethylphenyl) 4-methylbenzoate;(4-cyano-3,5-dimethylphenyl) 4-methylcyclohexane-1-carboxylate;(4-cyano-3,5-dimethylphenyl) 4-(4-methylcyclohexyl)benzoate;2,6-dimethyl-4-[2-(4-methylcyclohexyl)ethyl]benzonitrile;2,6-dimethyl-4-[4-(4-methylphenyl)phenyl]benzonitrile;4-(2,4-dimethylphenyl)-2,6-dimethylbenzonitrile;2-methyl-4-(4-methylcyclohexyl)benzonitrile;molecular hydrogen
CID 158436452
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
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
(4-methylphenyl) 4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzoate
CID 59938822
2-fluoro-4-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)phenyl]benzene;[4-(4-methylcyclohexyl)phenyl] 3,4,5-trimethylbenzoate;molecular hydrogen;1,2,3-trimethyl-5-[(4-methylcyclohexyl)methyl]benzene
CID 158581176

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]-1-[2-(4-methylphenyl)ethynyl]benzene;2-fluoro-4-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)phenyl]benzene;2-fluoro-4-(4-methylcyclohexyl)-1-[2-(4-methylphenyl)ethynyl]benzene;1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;1-methyl-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]benzene;(4-methylphenyl) 4-(4-methylcyclohexanecarbonyl)oxybenzoate?
The IUPAC name of 2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]-1-[2-(4-methylphenyl)ethynyl]benzene;2-fluoro-4-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)phenyl]benzene;2-fluoro-4-(4-methylcyclohexyl)-1-[2-(4-methylphenyl)ethynyl]benzene;1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;1-methyl-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]benzene;(4-methylphenyl) 4-(4-methylcyclohexanecarbonyl)oxybenzoate (CID 159008864) is 2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]-1-[2-(4-methylphenyl)ethynyl]benzene;2-fluoro-4-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)phenyl]benzene;2-fluoro-4-(4-methylcyclohexyl)-1-[2-(4-methylphenyl)ethynyl]benzene;1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;1-methyl-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]benzene;(4-methylphenyl) 4-(4-methylcyclohexanecarbonyl)oxybenzoate.
What is the SMILES notation for 2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]-1-[2-(4-methylphenyl)ethynyl]benzene;2-fluoro-4-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)phenyl]benzene;2-fluoro-4-(4-methylcyclohexyl)-1-[2-(4-methylphenyl)ethynyl]benzene;1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;1-methyl-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]benzene;(4-methylphenyl) 4-(4-methylcyclohexanecarbonyl)oxybenzoate?
The canonical SMILES for 2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]-1-[2-(4-methylphenyl)ethynyl]benzene;2-fluoro-4-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)phenyl]benzene;2-fluoro-4-(4-methylcyclohexyl)-1-[2-(4-methylphenyl)ethynyl]benzene;1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;1-methyl-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]benzene;(4-methylphenyl) 4-(4-methylcyclohexanecarbonyl)oxybenzoate is CC1CCC(c2ccc(-c3ccc(C4CCC(C)CC4)cc3)cc2)CC1.CC1CCC(c2ccc(-c3ccc(C4CCC(C)CC4)cc3F)cc2)CC1.Cc1ccc(C#Cc2ccc(C3CCC(C)CC3)cc2)cc1.Cc1ccc(C#Cc2ccc(C3CCC(C)CC3)cc2F)cc1.Cc1ccc(C#Cc2ccc(CCC3CCC(C)CC3)cc2)cc1.Cc1ccc(C#Cc2ccc(CCC3CCC(C)CC3)cc2F)cc1.Cc1ccc(OC(=O)c2ccc(OC(=O)C3CCC(C)CC3)cc2)cc1.
What is the InChIKey of 2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]-1-[2-(4-methylphenyl)ethynyl]benzene;2-fluoro-4-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)phenyl]benzene;2-fluoro-4-(4-methylcyclohexyl)-1-[2-(4-methylphenyl)ethynyl]benzene;1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;1-methyl-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]benzene;(4-methylphenyl) 4-(4-methylcyclohexanecarbonyl)oxybenzoate?
The InChIKey is JSGKBAUYVUCELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33F.C26H34.C24H27F.C24H28.C22H23F.C22H24O4.C22H24/c1-18-3-7-20(8-4-18)21-11-13-23(14-12-21)25-16-15-24(17-26(25)27)22-9-5-19(2)6-10-22;1-19-3-7-21(8-4-19)23-11-15-25(16-12-23)26-17-13-24(14-18-26)22-9-5-20(2)6-10-22;1-18-3-7-20(8-4-18)11-12-22-14-16-23(24(25)17-22)15-13-21-9-5-19(2)6-10-21;1-19-3-7-21(8-4-19)11-13-23-15-17-24(18-16-23)14-12-22-9-5-20(2)6-10-22;1-16-3-7-18(8-4-16)9-12-20-13-14-21(15-22(20)23)19-10-5-17(2)6-11-19;1-15-3-7-17(8-4-15)21(23)26-20-13-9-18(10-14-20)22(24)25-19-11-5-16(2)6-12-19;1-17-3-7-19(8-4-17)9-10-20-11-15-22(16-12-20)21-13-5-18(2)6-14-21/h11-20,22H,3-10H2,1-2H3;11-22H,3-10H2,1-2H3;5-6,9-10,14,16-18,20H,3-4,7-8,11-12H2,1-2H3;3-4,7-8,15-18,20,22H,5-6,9-10,12,14H2,1-2H3;3-4,7-8,13-15,17,19H,5-6,10-11H2,1-2H3;5-6,9-15,17H,3-4,7-8H2,1-2H3;3-4,7-8,11-12,15-16,18,21H,5-6,13-14H2,1-2H3.
What are the key properties of 2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]-1-[2-(4-methylphenyl)ethynyl]benzene;2-fluoro-4-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)phenyl]benzene;2-fluoro-4-(4-methylcyclohexyl)-1-[2-(4-methylphenyl)ethynyl]benzene;1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;1-methyl-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]benzene;(4-methylphenyl) 4-(4-methylcyclohexanecarbonyl)oxybenzoate?
2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]-1-[2-(4-methylphenyl)ethynyl]benzene;2-fluoro-4-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)phenyl]benzene;2-fluoro-4-(4-methylcyclohexyl)-1-[2-(4-methylphenyl)ethynyl]benzene;1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;1-methyl-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]benzene;(4-methylphenyl) 4-(4-methylcyclohexanecarbonyl)oxybenzoate has a molecular weight of 2309.36 g/mol, XLogP of 44.93, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]-1-[2-(4-methylphenyl)ethynyl]benzene;2-fluoro-4-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)phenyl]benzene;2-fluoro-4-(4-methylcyclohexyl)-1-[2-(4-methylphenyl)ethynyl]benzene;1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;1-methyl-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]benzene;(4-methylphenyl) 4-(4-methylcyclohexanecarbonyl)oxybenzoate is sourced from PubChem (CID 159008864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).