1-butyl-4-(4-ethylphenyl)benzene;5-(4-butylphenyl)-2-(4-pentylphenyl)pyrimidine;4-[5-(4-butylphenyl)pyrimidin-2-yl]benzonitrile;1-ethoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene;4-(4-ethylcyclohexyl)-2-fluorobenzonitrile;methane;(4-methoxyphenyl) 4-pentylcyclohexane-1-carboxylate;4-(4-pentylphenyl)benzonitrile;4-(4-prop-2-enylcyclohexyl)benzonitrile;(4-propoxyphenyl) 4-pentylcyclohexane-1-carboxylate;4-(4-propylphenyl)benzonitrile;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-pentylbenzoyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-pentylcyclohexanecarbonyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-propylbenzoyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-propylcyclohexanecarbonyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]benzoate

C329H401F26N9O25 — CID 157281839

About 1-butyl-4-(4-ethylphenyl)benzene;5-(4-butylphenyl)-2-(4-pentylphenyl)pyrimidine;4-[5-(4-butylphenyl)pyrimidin-2-yl]benzonitrile;1-ethoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene;4-(4-ethylcyclohexyl)-2-fluorobenzonitrile;methane;(4-methoxyphenyl) 4-pentylcyclohexane-1-carboxylate;4-(4-pentylphenyl)benzonitrile;4-(4-prop-2-enylcyclohexyl)benzonitrile;(4-propoxyphenyl) 4-pentylcyclohexane-1-carboxylate;4-(4-propylphenyl)benzonitrile;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-pentylbenzoyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-pentylcyclohexanecarbonyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-propylbenzoyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-propylcyclohexanecarbonyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]benzoate

1-butyl-4-(4-ethylphenyl)benzene;5-(4-butylphenyl)-2-(4-pentylphenyl)pyrimidine;4-[5-(4-butylphenyl)pyrimidin-2-yl]benzonitrile;1-ethoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene;4-(4-ethylcyclohexyl)-2-fluorobenzonitrile;methane;(4-methoxyphenyl) 4-pentylcyclohexane-1-carboxylate;4-(4-pentylphenyl)benzonitrile;4-(4-prop-2-enylcyclohexyl)benzonitrile;(4-propoxyphenyl) 4-pentylcyclohexane-1-carboxylate;4-(4-propylphenyl)benzonitrile;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-pentylbenzoyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-pentylcyclohexanecarbonyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-propylbenzoyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-propylcyclohexanecarbonyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]benzoate (PubChem CID 157281839) has the molecular formula C329H401F26N9O25 and a molecular weight of 5375.81 g/mol. Its IUPAC name is 1-butyl-4-(4-ethylphenyl)benzene;5-(4-butylphenyl)-2-(4-pentylphenyl)pyrimidine;4-[5-(4-butylphenyl)pyrimidin-2-yl]benzonitrile;1-ethoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene;4-(4-ethylcyclohexyl)-2-fluorobenzonitrile;methane;(4-methoxyphenyl) 4-pentylcyclohexane-1-carboxylate;4-(4-pentylphenyl)benzonitrile;4-(4-prop-2-enylcyclohexyl)benzonitrile;(4-propoxyphenyl) 4-pentylcyclohexane-1-carboxylate;4-(4-propylphenyl)benzonitrile;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-pentylbenzoyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-pentylcyclohexanecarbonyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-propylbenzoyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-propylcyclohexanecarbonyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]benzoate.

Molecular Properties

• Compound Name: 1-butyl-4-(4-ethylphenyl)benzene;5-(4-butylphenyl)-2-(4-pentylphenyl)pyrimidine;4-[5-(4-butylphenyl)pyrimidin-2-yl]benzonitrile;1-ethoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene;4-(4-ethylcyclohexyl)-2-fluorobenzonitrile;methane;(4-methoxyphenyl) 4-pentylcyclohexane-1-carboxylate;4-(4-pentylphenyl)benzonitrile;4-(4-prop-2-enylcyclohexyl)benzonitrile;(4-propoxyphenyl) 4-pentylcyclohexane-1-carboxylate;4-(4-propylphenyl)benzonitrile;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-pentylbenzoyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-pentylcyclohexanecarbonyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-propylbenzoyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-propylcyclohexanecarbonyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]benzoate
• PubChem CID: 157281839
• Molecular Formula: C329H401F26N9O25
• Molecular Weight: 5375.81 g/mol
• Exact Mass: 5372.00
• IUPAC Name: 1-butyl-4-(4-ethylphenyl)benzene;5-(4-butylphenyl)-2-(4-pentylphenyl)pyrimidine;4-[5-(4-butylphenyl)pyrimidin-2-yl]benzonitrile;1-ethoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene;4-(4-ethylcyclohexyl)-2-fluorobenzonitrile;methane;(4-methoxyphenyl) 4-pentylcyclohexane-1-carboxylate;4-(4-pentylphenyl)benzonitrile;4-(4-prop-2-enylcyclohexyl)benzonitrile;(4-propoxyphenyl) 4-pentylcyclohexane-1-carboxylate;4-(4-propylphenyl)benzonitrile;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-pentylbenzoyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-pentylcyclohexanecarbonyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-propylbenzoyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-propylcyclohexanecarbonyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]benzoate
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C=CCC1CCC(c2ccc(C#N)cc2)CC1.CCC1CCC(c2ccc(C#N)c(F)c2)CC1.CCCC1CCC(C(=O)Oc2cc(F)c(C(=O)Oc3cc(F)c(F)c(F)c3)c(F)c2)CC1.CCCC1CCC(CCc2ccc(-c3cc(F)c(C(=O)Oc4cc(F)c(F)c(F)c4)c(F)c3)cc2)CC1.CCCC1CCC(CCc2ccc(OCC)cc2)CC1.CCCCCC1CCC(C(=O)Oc2cc(F)c(C(=O)Oc3cc(F)c(F)c(F)c3)c(F)c2)CC1.CCCCCC1CCC(C(=O)Oc2ccc(OC)cc2)CC1.CCCCCC1CCC(C(=O)Oc2ccc(OCCC)cc2)CC1.CCCCCc1ccc(-c2ccc(C#N)cc2)cc1.CCCCCc1ccc(-c2ncc(-c3ccc(CCCC)cc3)cn2)cc1.CCCCCc1ccc(C(=O)Oc2cc(F)c(C(=O)Oc3cc(F)c(F)c(F)c3)c(F)c2)cc1.CCCCc1ccc(-c2ccc(CC)cc2)cc1.CCCCc1ccc(-c2cnc(-c3ccc(C#N)cc3)nc2)cc1.CCCc1ccc(-c2ccc(C#N)cc2)cc1.CCCc1ccc(C(=O)Oc2cc(F)c(C(=O)Oc3cc(F)c(F)c(F)c3)c(F)c2)cc1
• InChI: InChI=1S/C30H29F5O2.C25H25F5O4.C25H19F5O4.C25H30N2.C23H21F5O4.C23H15F5O4.C21H19N3.C21H32O3.C19H28O3.C19H30O.C18H19N.C18H22.C16H19N.C16H15N.C15H18FN.15CH4/c1-2-3-18-4-6-19(7-5-18)8-9-20-10-12-21(13-11-20)22-14-24(31)28(25(32)15-22)30(36)37-23-16-26(33)29(35)27(34)17-23;2*1-2-3-4-5-14-6-8-15(9-7-14)24(31)33-16-10-18(26)22(19(27)11-16)25(32)34-17-12-20(28)23(30)21(29)13-17;1-3-5-7-9-21-12-16-23(17-13-21)25-26-18-24(19-27-25)22-14-10-20(11-15-22)8-6-4-2;2*1-2-3-12-4-6-13(7-5-12)22(29)31-14-8-16(24)20(17(25)9-14)23(30)32-15-10-18(26)21(28)19(27)11-15;1-2-3-4-16-5-9-18(10-6-16)20-14-23-21(24-15-20)19-11-7-17(13-22)8-12-19;1-3-5-6-7-17-8-10-18(11-9-17)21(22)24-20-14-12-19(13-15-20)23-16-4-2;1-3-4-5-6-15-7-9-16(10-8-15)19(20)22-18-13-11-17(21-2)12-14-18;1-3-5-16-6-8-17(9-7-16)10-11-18-12-14-19(15-13-18)20-4-2;1-2-3-4-5-15-6-10-17(11-7-15)18-12-8-16(14-19)9-13-18;1-3-5-6-16-9-13-18(14-10-16)17-11-7-15(4-2)8-12-17;2*1-2-3-13-4-8-15(9-5-13)16-10-6-14(12-17)7-11-16;1-2-11-3-5-12(6-4-11)13-7-8-14(10-17)15(16)9-13;;;;;;;;;;;;;;;/h10-19H,2-9H2,1H3;10-15H,2-9H2,1H3;6-13H,2-5H2,1H3;10-19H,3-9H2,1-2H3;8-13H,2-7H2,1H3;4-11H,2-3H2,1H3;5-12,14-15H,2-4H2,1H3;12-15,17-18H,3-11,16H2,1-2H3;11-16H,3-10H2,1-2H3;12-17H,3-11H2,1-2H3;6-13H,2-5H2,1H3;7-14H,3-6H2,1-2H3;2,6-7,10-11,13,15H,1,3-5,8-9H2;4-11H,2-3H2,1H3;7-9,11-12H,2-6H2,1H3;15*1H4
• InChIKey: AZTHIKIFKVYRBH-UHFFFAOYSA-N
• XLogP: 95.16
• TPSA: 487.50 Ų
• H-Bond Acceptors: 34
• Rotatable Bonds: 91
• Heavy Atoms: 389
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5375.81
LogP ≤ 5	95.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(4-ethylphenyl)benzene;5-(4-butylphenyl)-2-(4-pentylphenyl)pyrimidine;4-[5-(4-butylphenyl)pyrimidin-2-yl]benzonitrile;1-ethoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene;4-(4-ethylcyclohexyl)-2-fluorobenzonitrile;methane;(4-methoxyphenyl) 4-pentylcyclohexane-1-carboxylate;4-(4-pentylphenyl)benzonitrile;4-(4-prop-2-enylcyclohexyl)benzonitrile;(4-propoxyphenyl) 4-pentylcyclohexane-1-carboxylate;4-(4-propylphenyl)benzonitrile;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-pentylbenzoyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-pentylcyclohexanecarbonyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-propylbenzoyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-propylcyclohexanecarbonyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]benzoate?

The IUPAC name of 1-butyl-4-(4-ethylphenyl)benzene;5-(4-butylphenyl)-2-(4-pentylphenyl)pyrimidine;4-[5-(4-butylphenyl)pyrimidin-2-yl]benzonitrile;1-ethoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene;4-(4-ethylcyclohexyl)-2-fluorobenzonitrile;methane;(4-methoxyphenyl) 4-pentylcyclohexane-1-carboxylate;4-(4-pentylphenyl)benzonitrile;4-(4-prop-2-enylcyclohexyl)benzonitrile;(4-propoxyphenyl) 4-pentylcyclohexane-1-carboxylate;4-(4-propylphenyl)benzonitrile;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-pentylbenzoyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-pentylcyclohexanecarbonyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-propylbenzoyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-propylcyclohexanecarbonyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]benzoate (CID 157281839) is 1-butyl-4-(4-ethylphenyl)benzene;5-(4-butylphenyl)-2-(4-pentylphenyl)pyrimidine;4-[5-(4-butylphenyl)pyrimidin-2-yl]benzonitrile;1-ethoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene;4-(4-ethylcyclohexyl)-2-fluorobenzonitrile;methane;(4-methoxyphenyl) 4-pentylcyclohexane-1-carboxylate;4-(4-pentylphenyl)benzonitrile;4-(4-prop-2-enylcyclohexyl)benzonitrile;(4-propoxyphenyl) 4-pentylcyclohexane-1-carboxylate;4-(4-propylphenyl)benzonitrile;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-pentylbenzoyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-pentylcyclohexanecarbonyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-propylbenzoyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-propylcyclohexanecarbonyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]benzoate.

What is the SMILES notation for 1-butyl-4-(4-ethylphenyl)benzene;5-(4-butylphenyl)-2-(4-pentylphenyl)pyrimidine;4-[5-(4-butylphenyl)pyrimidin-2-yl]benzonitrile;1-ethoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene;4-(4-ethylcyclohexyl)-2-fluorobenzonitrile;methane;(4-methoxyphenyl) 4-pentylcyclohexane-1-carboxylate;4-(4-pentylphenyl)benzonitrile;4-(4-prop-2-enylcyclohexyl)benzonitrile;(4-propoxyphenyl) 4-pentylcyclohexane-1-carboxylate;4-(4-propylphenyl)benzonitrile;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-pentylbenzoyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-pentylcyclohexanecarbonyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-propylbenzoyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-propylcyclohexanecarbonyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]benzoate?

The canonical SMILES for 1-butyl-4-(4-ethylphenyl)benzene;5-(4-butylphenyl)-2-(4-pentylphenyl)pyrimidine;4-[5-(4-butylphenyl)pyrimidin-2-yl]benzonitrile;1-ethoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene;4-(4-ethylcyclohexyl)-2-fluorobenzonitrile;methane;(4-methoxyphenyl) 4-pentylcyclohexane-1-carboxylate;4-(4-pentylphenyl)benzonitrile;4-(4-prop-2-enylcyclohexyl)benzonitrile;(4-propoxyphenyl) 4-pentylcyclohexane-1-carboxylate;4-(4-propylphenyl)benzonitrile;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-pentylbenzoyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-pentylcyclohexanecarbonyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-propylbenzoyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-propylcyclohexanecarbonyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]benzoate is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C=CCC1CCC(c2ccc(C#N)cc2)CC1.CCC1CCC(c2ccc(C#N)c(F)c2)CC1.CCCC1CCC(C(=O)Oc2cc(F)c(C(=O)Oc3cc(F)c(F)c(F)c3)c(F)c2)CC1.CCCC1CCC(CCc2ccc(-c3cc(F)c(C(=O)Oc4cc(F)c(F)c(F)c4)c(F)c3)cc2)CC1.CCCC1CCC(CCc2ccc(OCC)cc2)CC1.CCCCCC1CCC(C(=O)Oc2cc(F)c(C(=O)Oc3cc(F)c(F)c(F)c3)c(F)c2)CC1.CCCCCC1CCC(C(=O)Oc2ccc(OC)cc2)CC1.CCCCCC1CCC(C(=O)Oc2ccc(OCCC)cc2)CC1.CCCCCc1ccc(-c2ccc(C#N)cc2)cc1.CCCCCc1ccc(-c2ncc(-c3ccc(CCCC)cc3)cn2)cc1.CCCCCc1ccc(C(=O)Oc2cc(F)c(C(=O)Oc3cc(F)c(F)c(F)c3)c(F)c2)cc1.CCCCc1ccc(-c2ccc(CC)cc2)cc1.CCCCc1ccc(-c2cnc(-c3ccc(C#N)cc3)nc2)cc1.CCCc1ccc(-c2ccc(C#N)cc2)cc1.CCCc1ccc(C(=O)Oc2cc(F)c(C(=O)Oc3cc(F)c(F)c(F)c3)c(F)c2)cc1.

What is the InChIKey of 1-butyl-4-(4-ethylphenyl)benzene;5-(4-butylphenyl)-2-(4-pentylphenyl)pyrimidine;4-[5-(4-butylphenyl)pyrimidin-2-yl]benzonitrile;1-ethoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene;4-(4-ethylcyclohexyl)-2-fluorobenzonitrile;methane;(4-methoxyphenyl) 4-pentylcyclohexane-1-carboxylate;4-(4-pentylphenyl)benzonitrile;4-(4-prop-2-enylcyclohexyl)benzonitrile;(4-propoxyphenyl) 4-pentylcyclohexane-1-carboxylate;4-(4-propylphenyl)benzonitrile;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-pentylbenzoyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-pentylcyclohexanecarbonyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-propylbenzoyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-propylcyclohexanecarbonyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]benzoate?

The InChIKey is AZTHIKIFKVYRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F5O2.C25H25F5O4.C25H19F5O4.C25H30N2.C23H21F5O4.C23H15F5O4.C21H19N3.C21H32O3.C19H28O3.C19H30O.C18H19N.C18H22.C16H19N.C16H15N.C15H18FN.15CH4/c1-2-3-18-4-6-19(7-5-18)8-9-20-10-12-21(13-11-20)22-14-24(31)28(25(32)15-22)30(36)37-23-16-26(33)29(35)27(34)17-23;2*1-2-3-4-5-14-6-8-15(9-7-14)24(31)33-16-10-18(26)22(19(27)11-16)25(32)34-17-12-20(28)23(30)21(29)13-17;1-3-5-7-9-21-12-16-23(17-13-21)25-26-18-24(19-27-25)22-14-10-20(11-15-22)8-6-4-2;2*1-2-3-12-4-6-13(7-5-12)22(29)31-14-8-16(24)20(17(25)9-14)23(30)32-15-10-18(26)21(28)19(27)11-15;1-2-3-4-16-5-9-18(10-6-16)20-14-23-21(24-15-20)19-11-7-17(13-22)8-12-19;1-3-5-6-7-17-8-10-18(11-9-17)21(22)24-20-14-12-19(13-15-20)23-16-4-2;1-3-4-5-6-15-7-9-16(10-8-15)19(20)22-18-13-11-17(21-2)12-14-18;1-3-5-16-6-8-17(9-7-16)10-11-18-12-14-19(15-13-18)20-4-2;1-2-3-4-5-15-6-10-17(11-7-15)18-12-8-16(14-19)9-13-18;1-3-5-6-16-9-13-18(14-10-16)17-11-7-15(4-2)8-12-17;2*1-2-3-13-4-8-15(9-5-13)16-10-6-14(12-17)7-11-16;1-2-11-3-5-12(6-4-11)13-7-8-14(10-17)15(16)9-13;;;;;;;;;;;;;;;/h10-19H,2-9H2,1H3;10-15H,2-9H2,1H3;6-13H,2-5H2,1H3;10-19H,3-9H2,1-2H3;8-13H,2-7H2,1H3;4-11H,2-3H2,1H3;5-12,14-15H,2-4H2,1H3;12-15,17-18H,3-11,16H2,1-2H3;11-16H,3-10H2,1-2H3;12-17H,3-11H2,1-2H3;6-13H,2-5H2,1H3;7-14H,3-6H2,1-2H3;2,6-7,10-11,13,15H,1,3-5,8-9H2;4-11H,2-3H2,1H3;7-9,11-12H,2-6H2,1H3;15*1H4.

What are the key properties of 1-butyl-4-(4-ethylphenyl)benzene;5-(4-butylphenyl)-2-(4-pentylphenyl)pyrimidine;4-[5-(4-butylphenyl)pyrimidin-2-yl]benzonitrile;1-ethoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene;4-(4-ethylcyclohexyl)-2-fluorobenzonitrile;methane;(4-methoxyphenyl) 4-pentylcyclohexane-1-carboxylate;4-(4-pentylphenyl)benzonitrile;4-(4-prop-2-enylcyclohexyl)benzonitrile;(4-propoxyphenyl) 4-pentylcyclohexane-1-carboxylate;4-(4-propylphenyl)benzonitrile;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-pentylbenzoyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-pentylcyclohexanecarbonyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-propylbenzoyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-propylcyclohexanecarbonyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]benzoate?

1-butyl-4-(4-ethylphenyl)benzene;5-(4-butylphenyl)-2-(4-pentylphenyl)pyrimidine;4-[5-(4-butylphenyl)pyrimidin-2-yl]benzonitrile;1-ethoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene;4-(4-ethylcyclohexyl)-2-fluorobenzonitrile;methane;(4-methoxyphenyl) 4-pentylcyclohexane-1-carboxylate;4-(4-pentylphenyl)benzonitrile;4-(4-prop-2-enylcyclohexyl)benzonitrile;(4-propoxyphenyl) 4-pentylcyclohexane-1-carboxylate;4-(4-propylphenyl)benzonitrile;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-pentylbenzoyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-pentylcyclohexanecarbonyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-propylbenzoyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-propylcyclohexanecarbonyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]benzoate has a molecular weight of 5375.81 g/mol, XLogP of 95.16, 91 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 1-butyl-4-(4-ethylphenyl)benzene;5-(4-butylphenyl)-2-(4-pentylphenyl)pyrimidine;4-[5-(4-butylphenyl)pyrimidin-2-yl]benzonitrile;1-ethoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene;4-(4-ethylcyclohexyl)-2-fluorobenzonitrile;methane;(4-methoxyphenyl) 4-pentylcyclohexane-1-carboxylate;4-(4-pentylphenyl)benzonitrile;4-(4-prop-2-enylcyclohexyl)benzonitrile;(4-propoxyphenyl) 4-pentylcyclohexane-1-carboxylate;4-(4-propylphenyl)benzonitrile;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-pentylbenzoyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-pentylcyclohexanecarbonyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-propylbenzoyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-propylcyclohexanecarbonyl)oxybenzoate;(3,4,5-trifluorophenyl) 2,6-difluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]benzoate is sourced from PubChem (CID 157281839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).