(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

C164H216F2O4 — CID 158044869

About (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

(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 (PubChem CID 158044869) has the molecular formula C164H216F2O4 and a molecular weight of 2289.52 g/mol. Its IUPAC name is (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.

Molecular Properties

• Compound Name: (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
• PubChem CID: 158044869
• Molecular Formula: C164H216F2O4
• Molecular Weight: 2289.52 g/mol
• Exact Mass: 2287.67
• IUPAC Name: (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
• SMILES: Cc1cc(-c2ccc(C3CCC(C)CC3)cc2)cc(C)c1C.Cc1cc(C2CCC(C)CC2)cc(C)c1C.Cc1cc(C2CCC(C3CCC(C)CC3)CC2)cc(C)c1C.Cc1cc(CCC2CCC(C3CCC(C)CC3)CC2)cc(C)c1C.Cc1ccc(-c2cc(C)c(C)c(C)c2)cc1.Cc1ccc(-c2ccc(-c3cc(C)c(C)c(C)c3)cc2)cc1.Cc1ccc(OC(=O)C2CCC(C3CCC(C)CC3)CC2)cc1F.Cc1ccc(OC(=O)c2ccc(C3CCC(C)CC3)cc2)cc1F
• InChI: InChI=1S/C24H38.C22H34.C22H28.C22H22.C21H29FO2.C21H23FO2.C16H24.C16H18/c1-17-5-11-23(12-6-17)24-13-9-21(10-14-24)7-8-22-15-18(2)20(4)19(3)16-22;3*1-15-5-7-19(8-6-15)20-9-11-21(12-10-20)22-13-16(2)18(4)17(3)14-22;2*1-14-3-6-16(7-4-14)17-8-10-18(11-9-17)21(23)24-19-12-5-15(2)20(22)13-19;2*1-11-5-7-15(8-6-11)16-9-12(2)14(4)13(3)10-16/h15-17,21,23-24H,5-14H2,1-4H3;13-15,19-21H,5-12H2,1-4H3;9-15,19H,5-8H2,1-4H3;5-14H,1-4H3;5,12-14,16-18H,3-4,6-11H2,1-2H3;5,8-14,16H,3-4,6-7H2,1-2H3;9-11,15H,5-8H2,1-4H3;5-10H,1-4H3
• InChIKey: FIUCTZKHTLBYOD-UHFFFAOYSA-N
• XLogP: 47.53
• TPSA: 52.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 18
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2289.52
LogP ≤ 5	47.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (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?

The IUPAC name of (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) is (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.

What is the SMILES notation for (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?

The canonical SMILES for (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 is Cc1cc(-c2ccc(C3CCC(C)CC3)cc2)cc(C)c1C.Cc1cc(C2CCC(C)CC2)cc(C)c1C.Cc1cc(C2CCC(C3CCC(C)CC3)CC2)cc(C)c1C.Cc1cc(CCC2CCC(C3CCC(C)CC3)CC2)cc(C)c1C.Cc1ccc(-c2cc(C)c(C)c(C)c2)cc1.Cc1ccc(-c2ccc(-c3cc(C)c(C)c(C)c3)cc2)cc1.Cc1ccc(OC(=O)C2CCC(C3CCC(C)CC3)CC2)cc1F.Cc1ccc(OC(=O)c2ccc(C3CCC(C)CC3)cc2)cc1F.

What is the InChIKey of (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?

The InChIKey is FIUCTZKHTLBYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38.C22H34.C22H28.C22H22.C21H29FO2.C21H23FO2.C16H24.C16H18/c1-17-5-11-23(12-6-17)24-13-9-21(10-14-24)7-8-22-15-18(2)20(4)19(3)16-22;3*1-15-5-7-19(8-6-15)20-9-11-21(12-10-20)22-13-16(2)18(4)17(3)14-22;2*1-14-3-6-16(7-4-14)17-8-10-18(11-9-17)21(23)24-19-12-5-15(2)20(22)13-19;2*1-11-5-7-15(8-6-11)16-9-12(2)14(4)13(3)10-16/h15-17,21,23-24H,5-14H2,1-4H3;13-15,19-21H,5-12H2,1-4H3;9-15,19H,5-8H2,1-4H3;5-14H,1-4H3;5,12-14,16-18H,3-4,6-11H2,1-2H3;5,8-14,16H,3-4,6-7H2,1-2H3;9-11,15H,5-8H2,1-4H3;5-10H,1-4H3.

What are the key properties of (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?

(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 has a molecular weight of 2289.52 g/mol, XLogP of 47.53, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (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 is sourced from PubChem (CID 158044869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).