(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

C224H228F9N15O10 — CID 159706781

About (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

(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 (PubChem CID 159706781) has the molecular formula C224H228F9N15O10 and a molecular weight of 3461.36 g/mol. Its IUPAC name is (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.

Molecular Properties

• Compound Name: (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
• PubChem CID: 159706781
• Molecular Formula: C224H228F9N15O10
• Molecular Weight: 3461.36 g/mol
• Exact Mass: 3458.76
• IUPAC Name: (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
• SMILES: CC1CCC(C(=O)Oc2ccc(F)c(F)c2)CC1.CC1CCC(C(=O)Oc2ccc(F)cc2)CC1.CC1CCC(C2CCC(C(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)CC2)CC1.CC1CCC(C2CCC(CCc3ccc(C#N)c(F)c3)CC2)CC1.CC1CCC(C2CCC(CCc3ccc(C#N)cc3)CC2)CC1.CC1CCC(c2ccc(C(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)cc2)CC1.CC1CCC(c2ccc(C(=O)Oc3ccc(C#N)c(F)c3)cc2)CC1.Cc1ccc(-c2ccc(-c3ccc(C#N)cc3)cc2)cc1.Cc1ccc(-c2cnc(-c3ccc(C#N)cc3)nc2)cc1.Cc1cnc(-c2ccc(-c3ccc(F)cc3)cc2)nc1.Cc1cnc(-c2ccc(F)c(F)c2)nc1.Cc1cnc(-c2ccc(F)cc2)nc1
• InChI: InChI=1S/C27H31NO2.C27H25NO2.C22H30FN.C22H31N.C21H20FNO2.C20H15N.C18H13N3.C17H13FN2.C14H16F2O2.C14H17FO2.C11H8F2N2.C11H9FN2/c2*1-19-2-6-21(7-3-19)23-10-12-25(13-11-23)27(29)30-26-16-14-24(15-17-26)22-8-4-20(18-28)5-9-22;1-16-2-9-19(10-3-16)20-11-6-17(7-12-20)4-5-18-8-13-21(15-24)22(23)14-18;1-17-2-12-21(13-3-17)22-14-10-19(11-15-22)5-4-18-6-8-20(16-23)9-7-18;1-14-2-4-15(5-3-14)16-6-8-17(9-7-16)21(24)25-19-11-10-18(13-23)20(22)12-19;1-15-2-6-17(7-3-15)19-10-12-20(13-11-19)18-8-4-16(14-21)5-9-18;1-13-2-6-15(7-3-13)17-11-20-18(21-12-17)16-8-4-14(10-19)5-9-16;1-12-10-19-17(20-11-12)15-4-2-13(3-5-15)14-6-8-16(18)9-7-14;1-9-2-4-10(5-3-9)14(17)18-11-6-7-12(15)13(16)8-11;1-10-2-4-11(5-3-10)14(16)17-13-8-6-12(15)7-9-13;1-7-5-14-11(15-6-7)8-2-3-9(12)10(13)4-8;1-8-6-13-11(14-7-8)9-2-4-10(12)5-3-9/h4-5,8-9,14-17,19,21,23,25H,2-3,6-7,10-13H2,1H3;4-5,8-17,19,21H,2-3,6-7H2,1H3;8,13-14,16-17,19-20H,2-7,9-12H2,1H3;6-9,17,19,21-22H,2-5,10-15H2,1H3;6-12,14-15H,2-5H2,1H3;2-13H,1H3;2-9,11-12H,1H3;2-11H,1H3;6-10H,2-5H2,1H3;6-11H,2-5H2,1H3;2-6H,1H3;2-7H,1H3
• InChIKey: MYHUCGAHQFVKOX-UHFFFAOYSA-N
• XLogP: 57.12
• TPSA: 401.15 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 31
• Heavy Atoms: 258
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3461.36
LogP ≤ 5	57.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (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?

The IUPAC name of (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) is (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.

What is the SMILES notation for (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?

The canonical SMILES for (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 is CC1CCC(C(=O)Oc2ccc(F)c(F)c2)CC1.CC1CCC(C(=O)Oc2ccc(F)cc2)CC1.CC1CCC(C2CCC(C(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)CC2)CC1.CC1CCC(C2CCC(CCc3ccc(C#N)c(F)c3)CC2)CC1.CC1CCC(C2CCC(CCc3ccc(C#N)cc3)CC2)CC1.CC1CCC(c2ccc(C(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)cc2)CC1.CC1CCC(c2ccc(C(=O)Oc3ccc(C#N)c(F)c3)cc2)CC1.Cc1ccc(-c2ccc(-c3ccc(C#N)cc3)cc2)cc1.Cc1ccc(-c2cnc(-c3ccc(C#N)cc3)nc2)cc1.Cc1cnc(-c2ccc(-c3ccc(F)cc3)cc2)nc1.Cc1cnc(-c2ccc(F)c(F)c2)nc1.Cc1cnc(-c2ccc(F)cc2)nc1.

What is the InChIKey of (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?

The InChIKey is MYHUCGAHQFVKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO2.C27H25NO2.C22H30FN.C22H31N.C21H20FNO2.C20H15N.C18H13N3.C17H13FN2.C14H16F2O2.C14H17FO2.C11H8F2N2.C11H9FN2/c2*1-19-2-6-21(7-3-19)23-10-12-25(13-11-23)27(29)30-26-16-14-24(15-17-26)22-8-4-20(18-28)5-9-22;1-16-2-9-19(10-3-16)20-11-6-17(7-12-20)4-5-18-8-13-21(15-24)22(23)14-18;1-17-2-12-21(13-3-17)22-14-10-19(11-15-22)5-4-18-6-8-20(16-23)9-7-18;1-14-2-4-15(5-3-14)16-6-8-17(9-7-16)21(24)25-19-11-10-18(13-23)20(22)12-19;1-15-2-6-17(7-3-15)19-10-12-20(13-11-19)18-8-4-16(14-21)5-9-18;1-13-2-6-15(7-3-13)17-11-20-18(21-12-17)16-8-4-14(10-19)5-9-16;1-12-10-19-17(20-11-12)15-4-2-13(3-5-15)14-6-8-16(18)9-7-14;1-9-2-4-10(5-3-9)14(17)18-11-6-7-12(15)13(16)8-11;1-10-2-4-11(5-3-10)14(16)17-13-8-6-12(15)7-9-13;1-7-5-14-11(15-6-7)8-2-3-9(12)10(13)4-8;1-8-6-13-11(14-7-8)9-2-4-10(12)5-3-9/h4-5,8-9,14-17,19,21,23,25H,2-3,6-7,10-13H2,1H3;4-5,8-17,19,21H,2-3,6-7H2,1H3;8,13-14,16-17,19-20H,2-7,9-12H2,1H3;6-9,17,19,21-22H,2-5,10-15H2,1H3;6-12,14-15H,2-5H2,1H3;2-13H,1H3;2-9,11-12H,1H3;2-11H,1H3;6-10H,2-5H2,1H3;6-11H,2-5H2,1H3;2-6H,1H3;2-7H,1H3.

What are the key properties of (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?

(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 has a molecular weight of 3461.36 g/mol, XLogP of 57.12, 31 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (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 is sourced from PubChem (CID 159706781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).