2-tert-butyl-5-(2-methylpropyl)phenol;1-cyano-2-[3-(2-methylpropyl)phenyl]guanidine;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;2-isocyano-4-(2-methylpropyl)pyridine;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine

C153H200Cl2F18N16O5 — CID 161158563

About 2-tert-butyl-5-(2-methylpropyl)phenol;1-cyano-2-[3-(2-methylpropyl)phenyl]guanidine;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;2-isocyano-4-(2-methylpropyl)pyridine;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine

2-tert-butyl-5-(2-methylpropyl)phenol;1-cyano-2-[3-(2-methylpropyl)phenyl]guanidine;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;2-isocyano-4-(2-methylpropyl)pyridine;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine (PubChem CID 161158563) has the molecular formula C153H200Cl2F18N16O5 and a molecular weight of 2756.26 g/mol. Its IUPAC name is 2-tert-butyl-5-(2-methylpropyl)phenol;1-cyano-2-[3-(2-methylpropyl)phenyl]guanidine;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;2-isocyano-4-(2-methylpropyl)pyridine;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

• Compound Name: 2-tert-butyl-5-(2-methylpropyl)phenol;1-cyano-2-[3-(2-methylpropyl)phenyl]guanidine;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;2-isocyano-4-(2-methylpropyl)pyridine;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
• PubChem CID: 161158563
• Molecular Formula: C153H200Cl2F18N16O5
• Molecular Weight: 2756.26 g/mol
• Exact Mass: 2753.50
• IUPAC Name: 2-tert-butyl-5-(2-methylpropyl)phenol;1-cyano-2-[3-(2-methylpropyl)phenyl]guanidine;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;2-isocyano-4-(2-methylpropyl)pyridine;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
• SMILES: CC(C)Cc1cc(Cl)c(O)c(Cl)c1.CC(C)Cc1ccc(C(C)(C)C)c(O)c1.CC(C)Cc1ccc(C(F)(F)F)cc1.CC(C)Cc1ccc(C(F)(F)F)nc1.CC(C)Cc1ccc(O)cc1.CC(C)Cc1cccc(/N=C(\N)NC#N)c1.CC(C)Cc1cccc(C(F)(F)F)c1.CC(C)Cc1cccc(C(F)(F)F)n1.CC(C)Cc1cccc(C(N)=O)c1.CC(C)Cc1cccc(C/N=C(\N)NC#N)c1.CC(C)Cc1ccnc(C(F)(F)F)c1.CC(C)Cc1ccnc(C(F)(F)F)n1.Cc1cc(CC(C)C)cc(C)c1O.[C-]#[N+]c1cc(CC(C)C)ccn1
• InChI: InChI=1S/C14H22O.C13H18N4.C12H16N4.C12H18O.2C11H13F3.C11H15NO.C10H12Cl2O.3C10H12F3N.C10H12N2.C10H14O.C9H11F3N2/c1-10(2)8-11-6-7-12(13(15)9-11)14(3,4)5;1-10(2)6-11-4-3-5-12(7-11)8-16-13(15)17-9-14;1-9(2)6-10-4-3-5-11(7-10)16-12(14)15-8-13;1-8(2)5-11-6-9(3)12(13)10(4)7-11;1-8(2)7-9-3-5-10(6-4-9)11(12,13)14;1-8(2)6-9-4-3-5-10(7-9)11(12,13)14;1-8(2)6-9-4-3-5-10(7-9)11(12)13;1-6(2)3-7-4-8(11)10(13)9(12)5-7;1-7(2)5-8-3-4-14-9(6-8)10(11,12)13;1-7(2)5-8-3-4-9(14-6-8)10(11,12)13;1-7(2)6-8-4-3-5-9(14-8)10(11,12)13;1-8(2)6-9-4-5-12-10(7-9)11-3;1-8(2)7-9-3-5-10(11)6-4-9;1-6(2)5-7-3-4-13-8(14-7)9(10,11)12/h6-7,9-10,15H,8H2,1-5H3;3-5,7,10H,6,8H2,1-2H3,(H3,15,16,17);3-5,7,9H,6H2,1-2H3,(H3,14,15,16);6-8,13H,5H2,1-4H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-5,7-8H,6H2,1-2H3,(H2,12,13);4-6,13H,3H2,1-2H3;2*3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;4-5,7-8H,6H2,1-2H3;3-6,8,11H,7H2,1-2H3;3-4,6H,5H2,1-2H3
• InChIKey: UPPUQKVKYNVLOT-UHFFFAOYSA-N
• XLogP: 42.47
• TPSA: 354.11 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 15
• Rotatable Bonds: 32
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2756.26
LogP ≤ 5	42.47
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(2-methylpropyl)phenol;1-cyano-2-[3-(2-methylpropyl)phenyl]guanidine;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;2-isocyano-4-(2-methylpropyl)pyridine;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine?

The IUPAC name of 2-tert-butyl-5-(2-methylpropyl)phenol;1-cyano-2-[3-(2-methylpropyl)phenyl]guanidine;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;2-isocyano-4-(2-methylpropyl)pyridine;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine (CID 161158563) is 2-tert-butyl-5-(2-methylpropyl)phenol;1-cyano-2-[3-(2-methylpropyl)phenyl]guanidine;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;2-isocyano-4-(2-methylpropyl)pyridine;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine.

What is the SMILES notation for 2-tert-butyl-5-(2-methylpropyl)phenol;1-cyano-2-[3-(2-methylpropyl)phenyl]guanidine;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;2-isocyano-4-(2-methylpropyl)pyridine;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine?

The canonical SMILES for 2-tert-butyl-5-(2-methylpropyl)phenol;1-cyano-2-[3-(2-methylpropyl)phenyl]guanidine;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;2-isocyano-4-(2-methylpropyl)pyridine;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine is CC(C)Cc1cc(Cl)c(O)c(Cl)c1.CC(C)Cc1ccc(C(C)(C)C)c(O)c1.CC(C)Cc1ccc(C(F)(F)F)cc1.CC(C)Cc1ccc(C(F)(F)F)nc1.CC(C)Cc1ccc(O)cc1.CC(C)Cc1cccc(/N=C(\N)NC#N)c1.CC(C)Cc1cccc(C(F)(F)F)c1.CC(C)Cc1cccc(C(F)(F)F)n1.CC(C)Cc1cccc(C(N)=O)c1.CC(C)Cc1cccc(C/N=C(\N)NC#N)c1.CC(C)Cc1ccnc(C(F)(F)F)c1.CC(C)Cc1ccnc(C(F)(F)F)n1.Cc1cc(CC(C)C)cc(C)c1O.[C-]#[N+]c1cc(CC(C)C)ccn1.

What is the InChIKey of 2-tert-butyl-5-(2-methylpropyl)phenol;1-cyano-2-[3-(2-methylpropyl)phenyl]guanidine;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;2-isocyano-4-(2-methylpropyl)pyridine;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine?

The InChIKey is UPPUQKVKYNVLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O.C13H18N4.C12H16N4.C12H18O.2C11H13F3.C11H15NO.C10H12Cl2O.3C10H12F3N.C10H12N2.C10H14O.C9H11F3N2/c1-10(2)8-11-6-7-12(13(15)9-11)14(3,4)5;1-10(2)6-11-4-3-5-12(7-11)8-16-13(15)17-9-14;1-9(2)6-10-4-3-5-11(7-10)16-12(14)15-8-13;1-8(2)5-11-6-9(3)12(13)10(4)7-11;1-8(2)7-9-3-5-10(6-4-9)11(12,13)14;1-8(2)6-9-4-3-5-10(7-9)11(12,13)14;1-8(2)6-9-4-3-5-10(7-9)11(12)13;1-6(2)3-7-4-8(11)10(13)9(12)5-7;1-7(2)5-8-3-4-14-9(6-8)10(11,12)13;1-7(2)5-8-3-4-9(14-6-8)10(11,12)13;1-7(2)6-8-4-3-5-9(14-8)10(11,12)13;1-8(2)6-9-4-5-12-10(7-9)11-3;1-8(2)7-9-3-5-10(11)6-4-9;1-6(2)5-7-3-4-13-8(14-7)9(10,11)12/h6-7,9-10,15H,8H2,1-5H3;3-5,7,10H,6,8H2,1-2H3,(H3,15,16,17);3-5,7,9H,6H2,1-2H3,(H3,14,15,16);6-8,13H,5H2,1-4H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-5,7-8H,6H2,1-2H3,(H2,12,13);4-6,13H,3H2,1-2H3;2*3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;4-5,7-8H,6H2,1-2H3;3-6,8,11H,7H2,1-2H3;3-4,6H,5H2,1-2H3.

What are the key properties of 2-tert-butyl-5-(2-methylpropyl)phenol;1-cyano-2-[3-(2-methylpropyl)phenyl]guanidine;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;2-isocyano-4-(2-methylpropyl)pyridine;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine?

2-tert-butyl-5-(2-methylpropyl)phenol;1-cyano-2-[3-(2-methylpropyl)phenyl]guanidine;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;2-isocyano-4-(2-methylpropyl)pyridine;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 2756.26 g/mol, XLogP of 42.47, 32 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-5-(2-methylpropyl)phenol;1-cyano-2-[3-(2-methylpropyl)phenyl]guanidine;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;2-isocyano-4-(2-methylpropyl)pyridine;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 161158563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).