2-(1,1-difluoroethyl)-1-ethoxy-4-propan-2-ylbenzene;1-(1,1-difluoroethyl)-2-methyl-4-propan-2-ylbenzene;2,4-di(propan-2-yl)phenol;1-ethyl-4-(2-methyl-4-propan-2-ylphenyl)imidazole;2-ethynyl-5-(2-methyl-4-propan-2-ylphenyl)pyridine;1-(1-fluoroethoxy)-2-propan-2-ylbenzene;1-(2-fluoro-2-methylpropoxy)-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-phenyl-4-propan-2-ylbenzene;bis(2-methoxy-1-methyl-3-propan-2-ylbenzene);1-(2-methoxyphenyl)-2-methyl-4-propan-2-ylbenzene;2-methoxy-1-phenyl-4-propan-2-ylbenzene;2-methyl-4-(2-methyl-4-propan-2-ylphenyl)pyridine;2-phenyl-5-propan-2-ylphenol

C195H245F7N4O10 — CID 161247363

About 2-(1,1-difluoroethyl)-1-ethoxy-4-propan-2-ylbenzene;1-(1,1-difluoroethyl)-2-methyl-4-propan-2-ylbenzene;2,4-di(propan-2-yl)phenol;1-ethyl-4-(2-methyl-4-propan-2-ylphenyl)imidazole;2-ethynyl-5-(2-methyl-4-propan-2-ylphenyl)pyridine;1-(1-fluoroethoxy)-2-propan-2-ylbenzene;1-(2-fluoro-2-methylpropoxy)-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-phenyl-4-propan-2-ylbenzene;bis(2-methoxy-1-methyl-3-propan-2-ylbenzene);1-(2-methoxyphenyl)-2-methyl-4-propan-2-ylbenzene;2-methoxy-1-phenyl-4-propan-2-ylbenzene;2-methyl-4-(2-methyl-4-propan-2-ylphenyl)pyridine;2-phenyl-5-propan-2-ylphenol

2-(1,1-difluoroethyl)-1-ethoxy-4-propan-2-ylbenzene;1-(1,1-difluoroethyl)-2-methyl-4-propan-2-ylbenzene;2,4-di(propan-2-yl)phenol;1-ethyl-4-(2-methyl-4-propan-2-ylphenyl)imidazole;2-ethynyl-5-(2-methyl-4-propan-2-ylphenyl)pyridine;1-(1-fluoroethoxy)-2-propan-2-ylbenzene;1-(2-fluoro-2-methylpropoxy)-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-phenyl-4-propan-2-ylbenzene;bis(2-methoxy-1-methyl-3-propan-2-ylbenzene);1-(2-methoxyphenyl)-2-methyl-4-propan-2-ylbenzene;2-methoxy-1-phenyl-4-propan-2-ylbenzene;2-methyl-4-(2-methyl-4-propan-2-ylphenyl)pyridine;2-phenyl-5-propan-2-ylphenol (PubChem CID 161247363) has the molecular formula C195H245F7N4O10 and a molecular weight of 2938.11 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-1-ethoxy-4-propan-2-ylbenzene;1-(1,1-difluoroethyl)-2-methyl-4-propan-2-ylbenzene;2,4-di(propan-2-yl)phenol;1-ethyl-4-(2-methyl-4-propan-2-ylphenyl)imidazole;2-ethynyl-5-(2-methyl-4-propan-2-ylphenyl)pyridine;1-(1-fluoroethoxy)-2-propan-2-ylbenzene;1-(2-fluoro-2-methylpropoxy)-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-phenyl-4-propan-2-ylbenzene;bis(2-methoxy-1-methyl-3-propan-2-ylbenzene);1-(2-methoxyphenyl)-2-methyl-4-propan-2-ylbenzene;2-methoxy-1-phenyl-4-propan-2-ylbenzene;2-methyl-4-(2-methyl-4-propan-2-ylphenyl)pyridine;2-phenyl-5-propan-2-ylphenol.

Molecular Properties

• Compound Name: 2-(1,1-difluoroethyl)-1-ethoxy-4-propan-2-ylbenzene;1-(1,1-difluoroethyl)-2-methyl-4-propan-2-ylbenzene;2,4-di(propan-2-yl)phenol;1-ethyl-4-(2-methyl-4-propan-2-ylphenyl)imidazole;2-ethynyl-5-(2-methyl-4-propan-2-ylphenyl)pyridine;1-(1-fluoroethoxy)-2-propan-2-ylbenzene;1-(2-fluoro-2-methylpropoxy)-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-phenyl-4-propan-2-ylbenzene;bis(2-methoxy-1-methyl-3-propan-2-ylbenzene);1-(2-methoxyphenyl)-2-methyl-4-propan-2-ylbenzene;2-methoxy-1-phenyl-4-propan-2-ylbenzene;2-methyl-4-(2-methyl-4-propan-2-ylphenyl)pyridine;2-phenyl-5-propan-2-ylphenol
• PubChem CID: 161247363
• Molecular Formula: C195H245F7N4O10
• Molecular Weight: 2938.11 g/mol
• Exact Mass: 2935.87
• IUPAC Name: 2-(1,1-difluoroethyl)-1-ethoxy-4-propan-2-ylbenzene;1-(1,1-difluoroethyl)-2-methyl-4-propan-2-ylbenzene;2,4-di(propan-2-yl)phenol;1-ethyl-4-(2-methyl-4-propan-2-ylphenyl)imidazole;2-ethynyl-5-(2-methyl-4-propan-2-ylphenyl)pyridine;1-(1-fluoroethoxy)-2-propan-2-ylbenzene;1-(2-fluoro-2-methylpropoxy)-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-phenyl-4-propan-2-ylbenzene;bis(2-methoxy-1-methyl-3-propan-2-ylbenzene);1-(2-methoxyphenyl)-2-methyl-4-propan-2-ylbenzene;2-methoxy-1-phenyl-4-propan-2-ylbenzene;2-methyl-4-(2-methyl-4-propan-2-ylphenyl)pyridine;2-phenyl-5-propan-2-ylphenol
• SMILES: C#Cc1ccc(-c2ccc(C(C)C)cc2C)cn1.CC(C)c1ccc(-c2ccccc2)c(F)c1.CC(C)c1ccc(-c2ccccc2)c(O)c1.CC(C)c1ccc(O)c(C(C)C)c1.CC(F)Oc1ccccc1C(C)C.CCOc1ccc(C(C)C)cc1C(C)(F)F.CCn1cnc(-c2ccc(C(C)C)cc2C)c1.COc1c(C)cccc1C(C)C.COc1c(C)cccc1C(C)C.COc1cc(C(C)C)ccc1-c1ccccc1.COc1cc(C(C)C)ccc1OCC(C)(C)F.COc1ccccc1-c1ccc(C(C)C)cc1C.Cc1cc(-c2ccc(C(C)C)cc2C)ccn1.Cc1cc(C(C)C)ccc1C(C)(F)F
• InChI: InChI=1S/C17H17N.C17H20O.C16H19N.C16H18O.C15H15F.C15H20N2.C15H16O.C14H21FO2.C13H18F2O.C12H16F2.C12H18O.C11H15FO.2C11H16O/c1-5-16-8-6-15(11-18-16)17-9-7-14(12(2)3)10-13(17)4;1-12(2)14-9-10-15(13(3)11-14)16-7-5-6-8-17(16)18-4;1-11(2)14-5-6-16(12(3)9-14)15-7-8-17-13(4)10-15;1-12(2)14-9-10-15(16(11-14)17-3)13-7-5-4-6-8-13;1-11(2)13-8-9-14(15(16)10-13)12-6-4-3-5-7-12;1-5-17-9-15(16-10-17)14-7-6-13(11(2)3)8-12(14)4;1-11(2)13-8-9-14(15(16)10-13)12-6-4-3-5-7-12;1-10(2)11-6-7-12(13(8-11)16-5)17-9-14(3,4)15;1-5-16-12-7-6-10(9(2)3)8-11(12)13(4,14)15;1-8(2)10-5-6-11(9(3)7-10)12(4,13)14;1-8(2)10-5-6-12(13)11(7-10)9(3)4;1-8(2)10-6-4-5-7-11(10)13-9(3)12;2*1-8(2)10-7-5-6-9(3)11(10)12-4/h1,6-12H,2-4H3;5-12H,1-4H3;5-11H,1-4H3;4-12H,1-3H3;3-11H,1-2H3;6-11H,5H2,1-4H3;3-11,16H,1-2H3;6-8,10H,9H2,1-5H3;6-9H,5H2,1-4H3;5-8H,1-4H3;5-9,13H,1-4H3;4-9H,1-3H3;2*5-8H,1-4H3
• InChIKey: VAUVTQBDQAYRPN-UHFFFAOYSA-N
• XLogP: 56.62
• TPSA: 157.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 37
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2938.11
LogP ≤ 5	56.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-1-ethoxy-4-propan-2-ylbenzene;1-(1,1-difluoroethyl)-2-methyl-4-propan-2-ylbenzene;2,4-di(propan-2-yl)phenol;1-ethyl-4-(2-methyl-4-propan-2-ylphenyl)imidazole;2-ethynyl-5-(2-methyl-4-propan-2-ylphenyl)pyridine;1-(1-fluoroethoxy)-2-propan-2-ylbenzene;1-(2-fluoro-2-methylpropoxy)-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-phenyl-4-propan-2-ylbenzene;bis(2-methoxy-1-methyl-3-propan-2-ylbenzene);1-(2-methoxyphenyl)-2-methyl-4-propan-2-ylbenzene;2-methoxy-1-phenyl-4-propan-2-ylbenzene;2-methyl-4-(2-methyl-4-propan-2-ylphenyl)pyridine;2-phenyl-5-propan-2-ylphenol?

The IUPAC name of 2-(1,1-difluoroethyl)-1-ethoxy-4-propan-2-ylbenzene;1-(1,1-difluoroethyl)-2-methyl-4-propan-2-ylbenzene;2,4-di(propan-2-yl)phenol;1-ethyl-4-(2-methyl-4-propan-2-ylphenyl)imidazole;2-ethynyl-5-(2-methyl-4-propan-2-ylphenyl)pyridine;1-(1-fluoroethoxy)-2-propan-2-ylbenzene;1-(2-fluoro-2-methylpropoxy)-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-phenyl-4-propan-2-ylbenzene;bis(2-methoxy-1-methyl-3-propan-2-ylbenzene);1-(2-methoxyphenyl)-2-methyl-4-propan-2-ylbenzene;2-methoxy-1-phenyl-4-propan-2-ylbenzene;2-methyl-4-(2-methyl-4-propan-2-ylphenyl)pyridine;2-phenyl-5-propan-2-ylphenol (CID 161247363) is 2-(1,1-difluoroethyl)-1-ethoxy-4-propan-2-ylbenzene;1-(1,1-difluoroethyl)-2-methyl-4-propan-2-ylbenzene;2,4-di(propan-2-yl)phenol;1-ethyl-4-(2-methyl-4-propan-2-ylphenyl)imidazole;2-ethynyl-5-(2-methyl-4-propan-2-ylphenyl)pyridine;1-(1-fluoroethoxy)-2-propan-2-ylbenzene;1-(2-fluoro-2-methylpropoxy)-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-phenyl-4-propan-2-ylbenzene;bis(2-methoxy-1-methyl-3-propan-2-ylbenzene);1-(2-methoxyphenyl)-2-methyl-4-propan-2-ylbenzene;2-methoxy-1-phenyl-4-propan-2-ylbenzene;2-methyl-4-(2-methyl-4-propan-2-ylphenyl)pyridine;2-phenyl-5-propan-2-ylphenol.

What is the SMILES notation for 2-(1,1-difluoroethyl)-1-ethoxy-4-propan-2-ylbenzene;1-(1,1-difluoroethyl)-2-methyl-4-propan-2-ylbenzene;2,4-di(propan-2-yl)phenol;1-ethyl-4-(2-methyl-4-propan-2-ylphenyl)imidazole;2-ethynyl-5-(2-methyl-4-propan-2-ylphenyl)pyridine;1-(1-fluoroethoxy)-2-propan-2-ylbenzene;1-(2-fluoro-2-methylpropoxy)-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-phenyl-4-propan-2-ylbenzene;bis(2-methoxy-1-methyl-3-propan-2-ylbenzene);1-(2-methoxyphenyl)-2-methyl-4-propan-2-ylbenzene;2-methoxy-1-phenyl-4-propan-2-ylbenzene;2-methyl-4-(2-methyl-4-propan-2-ylphenyl)pyridine;2-phenyl-5-propan-2-ylphenol?

The canonical SMILES for 2-(1,1-difluoroethyl)-1-ethoxy-4-propan-2-ylbenzene;1-(1,1-difluoroethyl)-2-methyl-4-propan-2-ylbenzene;2,4-di(propan-2-yl)phenol;1-ethyl-4-(2-methyl-4-propan-2-ylphenyl)imidazole;2-ethynyl-5-(2-methyl-4-propan-2-ylphenyl)pyridine;1-(1-fluoroethoxy)-2-propan-2-ylbenzene;1-(2-fluoro-2-methylpropoxy)-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-phenyl-4-propan-2-ylbenzene;bis(2-methoxy-1-methyl-3-propan-2-ylbenzene);1-(2-methoxyphenyl)-2-methyl-4-propan-2-ylbenzene;2-methoxy-1-phenyl-4-propan-2-ylbenzene;2-methyl-4-(2-methyl-4-propan-2-ylphenyl)pyridine;2-phenyl-5-propan-2-ylphenol is C#Cc1ccc(-c2ccc(C(C)C)cc2C)cn1.CC(C)c1ccc(-c2ccccc2)c(F)c1.CC(C)c1ccc(-c2ccccc2)c(O)c1.CC(C)c1ccc(O)c(C(C)C)c1.CC(F)Oc1ccccc1C(C)C.CCOc1ccc(C(C)C)cc1C(C)(F)F.CCn1cnc(-c2ccc(C(C)C)cc2C)c1.COc1c(C)cccc1C(C)C.COc1c(C)cccc1C(C)C.COc1cc(C(C)C)ccc1-c1ccccc1.COc1cc(C(C)C)ccc1OCC(C)(C)F.COc1ccccc1-c1ccc(C(C)C)cc1C.Cc1cc(-c2ccc(C(C)C)cc2C)ccn1.Cc1cc(C(C)C)ccc1C(C)(F)F.

What is the InChIKey of 2-(1,1-difluoroethyl)-1-ethoxy-4-propan-2-ylbenzene;1-(1,1-difluoroethyl)-2-methyl-4-propan-2-ylbenzene;2,4-di(propan-2-yl)phenol;1-ethyl-4-(2-methyl-4-propan-2-ylphenyl)imidazole;2-ethynyl-5-(2-methyl-4-propan-2-ylphenyl)pyridine;1-(1-fluoroethoxy)-2-propan-2-ylbenzene;1-(2-fluoro-2-methylpropoxy)-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-phenyl-4-propan-2-ylbenzene;bis(2-methoxy-1-methyl-3-propan-2-ylbenzene);1-(2-methoxyphenyl)-2-methyl-4-propan-2-ylbenzene;2-methoxy-1-phenyl-4-propan-2-ylbenzene;2-methyl-4-(2-methyl-4-propan-2-ylphenyl)pyridine;2-phenyl-5-propan-2-ylphenol?

The InChIKey is VAUVTQBDQAYRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N.C17H20O.C16H19N.C16H18O.C15H15F.C15H20N2.C15H16O.C14H21FO2.C13H18F2O.C12H16F2.C12H18O.C11H15FO.2C11H16O/c1-5-16-8-6-15(11-18-16)17-9-7-14(12(2)3)10-13(17)4;1-12(2)14-9-10-15(13(3)11-14)16-7-5-6-8-17(16)18-4;1-11(2)14-5-6-16(12(3)9-14)15-7-8-17-13(4)10-15;1-12(2)14-9-10-15(16(11-14)17-3)13-7-5-4-6-8-13;1-11(2)13-8-9-14(15(16)10-13)12-6-4-3-5-7-12;1-5-17-9-15(16-10-17)14-7-6-13(11(2)3)8-12(14)4;1-11(2)13-8-9-14(15(16)10-13)12-6-4-3-5-7-12;1-10(2)11-6-7-12(13(8-11)16-5)17-9-14(3,4)15;1-5-16-12-7-6-10(9(2)3)8-11(12)13(4,14)15;1-8(2)10-5-6-11(9(3)7-10)12(4,13)14;1-8(2)10-5-6-12(13)11(7-10)9(3)4;1-8(2)10-6-4-5-7-11(10)13-9(3)12;2*1-8(2)10-7-5-6-9(3)11(10)12-4/h1,6-12H,2-4H3;5-12H,1-4H3;5-11H,1-4H3;4-12H,1-3H3;3-11H,1-2H3;6-11H,5H2,1-4H3;3-11,16H,1-2H3;6-8,10H,9H2,1-5H3;6-9H,5H2,1-4H3;5-8H,1-4H3;5-9,13H,1-4H3;4-9H,1-3H3;2*5-8H,1-4H3.

What are the key properties of 2-(1,1-difluoroethyl)-1-ethoxy-4-propan-2-ylbenzene;1-(1,1-difluoroethyl)-2-methyl-4-propan-2-ylbenzene;2,4-di(propan-2-yl)phenol;1-ethyl-4-(2-methyl-4-propan-2-ylphenyl)imidazole;2-ethynyl-5-(2-methyl-4-propan-2-ylphenyl)pyridine;1-(1-fluoroethoxy)-2-propan-2-ylbenzene;1-(2-fluoro-2-methylpropoxy)-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-phenyl-4-propan-2-ylbenzene;bis(2-methoxy-1-methyl-3-propan-2-ylbenzene);1-(2-methoxyphenyl)-2-methyl-4-propan-2-ylbenzene;2-methoxy-1-phenyl-4-propan-2-ylbenzene;2-methyl-4-(2-methyl-4-propan-2-ylphenyl)pyridine;2-phenyl-5-propan-2-ylphenol?

2-(1,1-difluoroethyl)-1-ethoxy-4-propan-2-ylbenzene;1-(1,1-difluoroethyl)-2-methyl-4-propan-2-ylbenzene;2,4-di(propan-2-yl)phenol;1-ethyl-4-(2-methyl-4-propan-2-ylphenyl)imidazole;2-ethynyl-5-(2-methyl-4-propan-2-ylphenyl)pyridine;1-(1-fluoroethoxy)-2-propan-2-ylbenzene;1-(2-fluoro-2-methylpropoxy)-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-phenyl-4-propan-2-ylbenzene;bis(2-methoxy-1-methyl-3-propan-2-ylbenzene);1-(2-methoxyphenyl)-2-methyl-4-propan-2-ylbenzene;2-methoxy-1-phenyl-4-propan-2-ylbenzene;2-methyl-4-(2-methyl-4-propan-2-ylphenyl)pyridine;2-phenyl-5-propan-2-ylphenol has a molecular weight of 2938.11 g/mol, XLogP of 56.62, 37 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,1-difluoroethyl)-1-ethoxy-4-propan-2-ylbenzene;1-(1,1-difluoroethyl)-2-methyl-4-propan-2-ylbenzene;2,4-di(propan-2-yl)phenol;1-ethyl-4-(2-methyl-4-propan-2-ylphenyl)imidazole;2-ethynyl-5-(2-methyl-4-propan-2-ylphenyl)pyridine;1-(1-fluoroethoxy)-2-propan-2-ylbenzene;1-(2-fluoro-2-methylpropoxy)-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-phenyl-4-propan-2-ylbenzene;bis(2-methoxy-1-methyl-3-propan-2-ylbenzene);1-(2-methoxyphenyl)-2-methyl-4-propan-2-ylbenzene;2-methoxy-1-phenyl-4-propan-2-ylbenzene;2-methyl-4-(2-methyl-4-propan-2-ylphenyl)pyridine;2-phenyl-5-propan-2-ylphenol is sourced from PubChem (CID 161247363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).