lithium;cumene;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-propan-2-ylbenzene;ethyl 4-propan-2-ylbenzoate;1-fluoro-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylaniline;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylphenol;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzamide;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 4-propan-2-ylbenzoate;1-methylsulfanyl-3-propan-2-ylbenzene;1-methylsulfanyl-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylaniline;4-propan-2-ylbenzamide;4-propan-2-ylbenzoate;3-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanol;1-(4-propan-2-ylphenyl)ethanone;2-(3-propan-2-ylphenyl)propan-2-ol;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-4-(trifluoromethyl)benzene

C333H441F9LiN9O21S2 — CID 158386603

IUPAClithium;cumene;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-propan-2-ylbenzene;ethyl 4-propan-2-ylbenzoate;1-fluoro-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylaniline;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylphenol;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzamide;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 4-propan-2-ylbenzoate;1-methylsulfanyl-3-propan-2-ylbenzene;1-methylsulfanyl-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylaniline;4-propan-2-ylbenzamide;4-propan-2-ylbenzoate;3-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanol;1-(4-propan-2-ylphenyl)ethanone;2-(3-propan-2-ylphenyl)propan-2-ol;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-4-(trifluoromethyl)benzene
SMILESCC(=O)Nc1ccc(C(C)C)cc1.CC(=O)c1ccc(C(C)C)cc1.CC(C)c1ccc(C#N)cc1.CC(C)c1ccc(C(=O)N(C)C)cc1.CC(C)c1ccc(C(=O)[O-])cc1.CC(C)c1ccc(C(C)(C)O)cc1.CC(C)c1ccc(C(C)O)cc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(N)=O)cc1.CC(C)c1ccc(F)c(N)c1.CC(C)c1ccc(F)c(O)c1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(N(C)C)cc1.CC(C)c1ccc(N)cc1.CC(C)c1ccc(O)cc1.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cccc(C#N)c1.CC(C)c1cccc(C(C)(C)O)c1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1.CCOC(=O)c1ccc(C(C)C)cc1.CCOc1cccc(C(C)C)c1.CNC(=O)c1ccc(C(C)C)cc1.COC(=O)c1ccc(C(C)C)cc1.COc1cc(C(C)C)ccc1F.COc1ccc(C(C)C)cc1.COc1ccc(C(C)C)cc1F.COc1cccc(C(C)C)c1.CSc1ccc(C(C)C)cc1.CSc1cccc(C(C)C)c1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.[Li+]
InChIInChI=1S/C15H16.C12H17NO.C12H16O2.2C12H18O.2C11H15NO.C11H17N.C11H14O2.C11H16O.C11H14O.C11H16O.C10H11F3.2C10H13FO.C10H13NO.2C10H11N.C10H12O2.2C10H14O.2C10H14S.2C10H14.C9H12FN.C9H11FO.2C9H11F.C9H13N.C9H12O.C9H12.Li/c1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-9(2)10-5-7-11(8-6-10)12(14)13(3)4;1-4-14-12(13)11-7-5-10(6-8-11)9(2)3;1-9(2)10-5-7-11(8-6-10)12(3,4)13;1-9(2)10-6-5-7-11(8-10)12(3,4)13;1-8(2)9-4-6-10(7-5-9)11(13)12-3;1-8(2)10-4-6-11(7-5-10)12-9(3)13;1-9(2)10-5-7-11(8-6-10)12(3)4;1-8(2)9-4-6-10(7-5-9)11(12)13-3;2*1-8(2)10-4-6-11(7-5-10)9(3)12;1-4-12-11-7-5-6-10(8-11)9(2)3;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)8-4-5-10(12-3)9(11)6-8;1-7(2)8-4-5-9(11)10(6-8)12-3;1-7(2)8-3-5-9(6-4-8)10(11)12;1-8(2)10-5-3-9(7-11)4-6-10;1-8(2)10-5-3-4-9(6-10)7-11;1-7(2)8-3-5-9(6-4-8)10(11)12;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;2*1-6(2)7-3-4-8(10)9(11)5-7;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;2*1-7(2)8-3-5-9(10)6-4-8;1-8(2)9-6-4-3-5-7-9;/h3-12H,1-2H3;5-9H,1-4H3;5-9H,4H2,1-3H3;2*5-9,13H,1-4H3;2*4-8H,1-3H3,(H,12,13);5-9H,1-4H3;4-8H,1-3H3;4-9,12H,1-3H3;4-8H,1-3H3;5-9H,4H2,1-3H3;3-7H,1-2H3;2*4-7H,1-3H3;3-7H,1-2H3,(H2,11,12);2*3-6,8H,1-2H3;3-7H,1-2H3,(H,11,12);4*4-8H,1-3H3;2*4-8H,1-3H3;3-6H,11H2,1-2H3;3-6,11H,1-2H3;2*3-7H,1-2H3;3-7H,10H2,1-2H3;3-7,10H,1-2H3;3-8H,1-2H3;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1/p-1
InChIKeyGWLDRZWNLTVMLR-UHFFFAOYSA-M
MW5148.29 g/mol
LogP88.48
Rot. Bonds54

About lithium;cumene;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-propan-2-ylbenzene;ethyl 4-propan-2-ylbenzoate;1-fluoro-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylaniline;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylphenol;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzamide;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 4-propan-2-ylbenzoate;1-methylsulfanyl-3-propan-2-ylbenzene;1-methylsulfanyl-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylaniline;4-propan-2-ylbenzamide;4-propan-2-ylbenzoate;3-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanol;1-(4-propan-2-ylphenyl)ethanone;2-(3-propan-2-ylphenyl)propan-2-ol;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-4-(trifluoromethyl)benzene

lithium;cumene;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-propan-2-ylbenzene;ethyl 4-propan-2-ylbenzoate;1-fluoro-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylaniline;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylphenol;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzamide;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 4-propan-2-ylbenzoate;1-methylsulfanyl-3-propan-2-ylbenzene;1-methylsulfanyl-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylaniline;4-propan-2-ylbenzamide;4-propan-2-ylbenzoate;3-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanol;1-(4-propan-2-ylphenyl)ethanone;2-(3-propan-2-ylphenyl)propan-2-ol;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-4-(trifluoromethyl)benzene (PubChem CID 158386603) has the molecular formula C333H441F9LiN9O21S2 and a molecular weight of 5148.29 g/mol. Its IUPAC name is lithium;cumene;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-propan-2-ylbenzene;ethyl 4-propan-2-ylbenzoate;1-fluoro-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylaniline;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylphenol;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzamide;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 4-propan-2-ylbenzoate;1-methylsulfanyl-3-propan-2-ylbenzene;1-methylsulfanyl-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylaniline;4-propan-2-ylbenzamide;4-propan-2-ylbenzoate;3-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanol;1-(4-propan-2-ylphenyl)ethanone;2-(3-propan-2-ylphenyl)propan-2-ol;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Namelithium;cumene;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-propan-2-ylbenzene;ethyl 4-propan-2-ylbenzoate;1-fluoro-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylaniline;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylphenol;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzamide;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 4-propan-2-ylbenzoate;1-methylsulfanyl-3-propan-2-ylbenzene;1-methylsulfanyl-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylaniline;4-propan-2-ylbenzamide;4-propan-2-ylbenzoate;3-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanol;1-(4-propan-2-ylphenyl)ethanone;2-(3-propan-2-ylphenyl)propan-2-ol;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-4-(trifluoromethyl)benzene
PubChem CID158386603
Molecular FormulaC333H441F9LiN9O21S2
Molecular Weight5148.29 g/mol
Exact Mass5144.32
IUPAC Namelithium;cumene;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-propan-2-ylbenzene;ethyl 4-propan-2-ylbenzoate;1-fluoro-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylaniline;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylphenol;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzamide;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 4-propan-2-ylbenzoate;1-methylsulfanyl-3-propan-2-ylbenzene;1-methylsulfanyl-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylaniline;4-propan-2-ylbenzamide;4-propan-2-ylbenzoate;3-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanol;1-(4-propan-2-ylphenyl)ethanone;2-(3-propan-2-ylphenyl)propan-2-ol;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-4-(trifluoromethyl)benzene
SMILESCC(=O)Nc1ccc(C(C)C)cc1.CC(=O)c1ccc(C(C)C)cc1.CC(C)c1ccc(C#N)cc1.CC(C)c1ccc(C(=O)N(C)C)cc1.CC(C)c1ccc(C(=O)[O-])cc1.CC(C)c1ccc(C(C)(C)O)cc1.CC(C)c1ccc(C(C)O)cc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(N)=O)cc1.CC(C)c1ccc(F)c(N)c1.CC(C)c1ccc(F)c(O)c1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(N(C)C)cc1.CC(C)c1ccc(N)cc1.CC(C)c1ccc(O)cc1.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cccc(C#N)c1.CC(C)c1cccc(C(C)(C)O)c1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1.CCOC(=O)c1ccc(C(C)C)cc1.CCOc1cccc(C(C)C)c1.CNC(=O)c1ccc(C(C)C)cc1.COC(=O)c1ccc(C(C)C)cc1.COc1cc(C(C)C)ccc1F.COc1ccc(C(C)C)cc1.COc1ccc(C(C)C)cc1F.COc1cccc(C(C)C)c1.CSc1ccc(C(C)C)cc1.CSc1cccc(C(C)C)c1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.[Li+]
InChIInChI=1S/C15H16.C12H17NO.C12H16O2.2C12H18O.2C11H15NO.C11H17N.C11H14O2.C11H16O.C11H14O.C11H16O.C10H11F3.2C10H13FO.C10H13NO.2C10H11N.C10H12O2.2C10H14O.2C10H14S.2C10H14.C9H12FN.C9H11FO.2C9H11F.C9H13N.C9H12O.C9H12.Li/c1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-9(2)10-5-7-11(8-6-10)12(14)13(3)4;1-4-14-12(13)11-7-5-10(6-8-11)9(2)3;1-9(2)10-5-7-11(8-6-10)12(3,4)13;1-9(2)10-6-5-7-11(8-10)12(3,4)13;1-8(2)9-4-6-10(7-5-9)11(13)12-3;1-8(2)10-4-6-11(7-5-10)12-9(3)13;1-9(2)10-5-7-11(8-6-10)12(3)4;1-8(2)9-4-6-10(7-5-9)11(12)13-3;2*1-8(2)10-4-6-11(7-5-10)9(3)12;1-4-12-11-7-5-6-10(8-11)9(2)3;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)8-4-5-10(12-3)9(11)6-8;1-7(2)8-4-5-9(11)10(6-8)12-3;1-7(2)8-3-5-9(6-4-8)10(11)12;1-8(2)10-5-3-9(7-11)4-6-10;1-8(2)10-5-3-4-9(6-10)7-11;1-7(2)8-3-5-9(6-4-8)10(11)12;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;2*1-6(2)7-3-4-8(10)9(11)5-7;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;2*1-7(2)8-3-5-9(10)6-4-8;1-8(2)9-6-4-3-5-7-9;/h3-12H,1-2H3;5-9H,1-4H3;5-9H,4H2,1-3H3;2*5-9,13H,1-4H3;2*4-8H,1-3H3,(H,12,13);5-9H,1-4H3;4-8H,1-3H3;4-9,12H,1-3H3;4-8H,1-3H3;5-9H,4H2,1-3H3;3-7H,1-2H3;2*4-7H,1-3H3;3-7H,1-2H3,(H2,11,12);2*3-6,8H,1-2H3;3-7H,1-2H3,(H,11,12);4*4-8H,1-3H3;2*4-8H,1-3H3;3-6H,11H2,1-2H3;3-6,11H,1-2H3;2*3-7H,1-2H3;3-7H,10H2,1-2H3;3-7,10H,1-2H3;3-8H,1-2H3;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1/p-1
InChIKeyGWLDRZWNLTVMLR-UHFFFAOYSA-M
XLogP88.48
TPSA481.56 Ų
H-Bond Donors10
H-Bond Acceptors28
Rotatable Bonds54
Heavy Atoms375
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005148.29
LogP ≤ 588.48
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1028

Analyze lithium;cumene;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-propan-2-ylbenzene;ethyl 4-propan-2-ylbenzoate;1-fluoro-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylaniline;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylphenol;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzamide;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 4-propan-2-ylbenzoate;1-methylsulfanyl-3-propan-2-ylbenzene;1-methylsulfanyl-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylaniline;4-propan-2-ylbenzamide;4-propan-2-ylbenzoate;3-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanol;1-(4-propan-2-ylphenyl)ethanone;2-(3-propan-2-ylphenyl)propan-2-ol;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-4-(trifluoromethyl)benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;cumene;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-propan-2-ylbenzene;ethyl 4-propan-2-ylbenzoate;1-fluoro-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylaniline;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylphenol;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzamide;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 4-propan-2-ylbenzoate;1-methylsulfanyl-3-propan-2-ylbenzene;1-methylsulfanyl-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylaniline;4-propan-2-ylbenzamide;4-propan-2-ylbenzoate;3-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanol;1-(4-propan-2-ylphenyl)ethanone;2-(3-propan-2-ylphenyl)propan-2-ol;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-4-(trifluoromethyl)benzene?
The IUPAC name of lithium;cumene;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-propan-2-ylbenzene;ethyl 4-propan-2-ylbenzoate;1-fluoro-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylaniline;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylphenol;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzamide;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 4-propan-2-ylbenzoate;1-methylsulfanyl-3-propan-2-ylbenzene;1-methylsulfanyl-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylaniline;4-propan-2-ylbenzamide;4-propan-2-ylbenzoate;3-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanol;1-(4-propan-2-ylphenyl)ethanone;2-(3-propan-2-ylphenyl)propan-2-ol;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-4-(trifluoromethyl)benzene (CID 158386603) is lithium;cumene;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-propan-2-ylbenzene;ethyl 4-propan-2-ylbenzoate;1-fluoro-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylaniline;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylphenol;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzamide;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 4-propan-2-ylbenzoate;1-methylsulfanyl-3-propan-2-ylbenzene;1-methylsulfanyl-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylaniline;4-propan-2-ylbenzamide;4-propan-2-ylbenzoate;3-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanol;1-(4-propan-2-ylphenyl)ethanone;2-(3-propan-2-ylphenyl)propan-2-ol;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-4-(trifluoromethyl)benzene.
What is the SMILES notation for lithium;cumene;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-propan-2-ylbenzene;ethyl 4-propan-2-ylbenzoate;1-fluoro-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylaniline;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylphenol;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzamide;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 4-propan-2-ylbenzoate;1-methylsulfanyl-3-propan-2-ylbenzene;1-methylsulfanyl-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylaniline;4-propan-2-ylbenzamide;4-propan-2-ylbenzoate;3-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanol;1-(4-propan-2-ylphenyl)ethanone;2-(3-propan-2-ylphenyl)propan-2-ol;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-4-(trifluoromethyl)benzene?
The canonical SMILES for lithium;cumene;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-propan-2-ylbenzene;ethyl 4-propan-2-ylbenzoate;1-fluoro-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylaniline;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylphenol;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzamide;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 4-propan-2-ylbenzoate;1-methylsulfanyl-3-propan-2-ylbenzene;1-methylsulfanyl-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylaniline;4-propan-2-ylbenzamide;4-propan-2-ylbenzoate;3-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanol;1-(4-propan-2-ylphenyl)ethanone;2-(3-propan-2-ylphenyl)propan-2-ol;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-4-(trifluoromethyl)benzene is CC(=O)Nc1ccc(C(C)C)cc1.CC(=O)c1ccc(C(C)C)cc1.CC(C)c1ccc(C#N)cc1.CC(C)c1ccc(C(=O)N(C)C)cc1.CC(C)c1ccc(C(=O)[O-])cc1.CC(C)c1ccc(C(C)(C)O)cc1.CC(C)c1ccc(C(C)O)cc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(N)=O)cc1.CC(C)c1ccc(F)c(N)c1.CC(C)c1ccc(F)c(O)c1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(N(C)C)cc1.CC(C)c1ccc(N)cc1.CC(C)c1ccc(O)cc1.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cccc(C#N)c1.CC(C)c1cccc(C(C)(C)O)c1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1.CCOC(=O)c1ccc(C(C)C)cc1.CCOc1cccc(C(C)C)c1.CNC(=O)c1ccc(C(C)C)cc1.COC(=O)c1ccc(C(C)C)cc1.COc1cc(C(C)C)ccc1F.COc1ccc(C(C)C)cc1.COc1ccc(C(C)C)cc1F.COc1cccc(C(C)C)c1.CSc1ccc(C(C)C)cc1.CSc1cccc(C(C)C)c1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.[Li+].
What is the InChIKey of lithium;cumene;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-propan-2-ylbenzene;ethyl 4-propan-2-ylbenzoate;1-fluoro-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylaniline;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylphenol;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzamide;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 4-propan-2-ylbenzoate;1-methylsulfanyl-3-propan-2-ylbenzene;1-methylsulfanyl-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylaniline;4-propan-2-ylbenzamide;4-propan-2-ylbenzoate;3-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanol;1-(4-propan-2-ylphenyl)ethanone;2-(3-propan-2-ylphenyl)propan-2-ol;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-4-(trifluoromethyl)benzene?
The InChIKey is GWLDRZWNLTVMLR-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H16.C12H17NO.C12H16O2.2C12H18O.2C11H15NO.C11H17N.C11H14O2.C11H16O.C11H14O.C11H16O.C10H11F3.2C10H13FO.C10H13NO.2C10H11N.C10H12O2.2C10H14O.2C10H14S.2C10H14.C9H12FN.C9H11FO.2C9H11F.C9H13N.C9H12O.C9H12.Li/c1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-9(2)10-5-7-11(8-6-10)12(14)13(3)4;1-4-14-12(13)11-7-5-10(6-8-11)9(2)3;1-9(2)10-5-7-11(8-6-10)12(3,4)13;1-9(2)10-6-5-7-11(8-10)12(3,4)13;1-8(2)9-4-6-10(7-5-9)11(13)12-3;1-8(2)10-4-6-11(7-5-10)12-9(3)13;1-9(2)10-5-7-11(8-6-10)12(3)4;1-8(2)9-4-6-10(7-5-9)11(12)13-3;2*1-8(2)10-4-6-11(7-5-10)9(3)12;1-4-12-11-7-5-6-10(8-11)9(2)3;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)8-4-5-10(12-3)9(11)6-8;1-7(2)8-4-5-9(11)10(6-8)12-3;1-7(2)8-3-5-9(6-4-8)10(11)12;1-8(2)10-5-3-9(7-11)4-6-10;1-8(2)10-5-3-4-9(6-10)7-11;1-7(2)8-3-5-9(6-4-8)10(11)12;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;2*1-6(2)7-3-4-8(10)9(11)5-7;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;2*1-7(2)8-3-5-9(10)6-4-8;1-8(2)9-6-4-3-5-7-9;/h3-12H,1-2H3;5-9H,1-4H3;5-9H,4H2,1-3H3;2*5-9,13H,1-4H3;2*4-8H,1-3H3,(H,12,13);5-9H,1-4H3;4-8H,1-3H3;4-9,12H,1-3H3;4-8H,1-3H3;5-9H,4H2,1-3H3;3-7H,1-2H3;2*4-7H,1-3H3;3-7H,1-2H3,(H2,11,12);2*3-6,8H,1-2H3;3-7H,1-2H3,(H,11,12);4*4-8H,1-3H3;2*4-8H,1-3H3;3-6H,11H2,1-2H3;3-6,11H,1-2H3;2*3-7H,1-2H3;3-7H,10H2,1-2H3;3-7,10H,1-2H3;3-8H,1-2H3;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1/p-1.
What are the key properties of lithium;cumene;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-propan-2-ylbenzene;ethyl 4-propan-2-ylbenzoate;1-fluoro-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylaniline;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylphenol;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzamide;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 4-propan-2-ylbenzoate;1-methylsulfanyl-3-propan-2-ylbenzene;1-methylsulfanyl-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylaniline;4-propan-2-ylbenzamide;4-propan-2-ylbenzoate;3-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanol;1-(4-propan-2-ylphenyl)ethanone;2-(3-propan-2-ylphenyl)propan-2-ol;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-4-(trifluoromethyl)benzene?
lithium;cumene;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-propan-2-ylbenzene;ethyl 4-propan-2-ylbenzoate;1-fluoro-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylaniline;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylphenol;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzamide;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 4-propan-2-ylbenzoate;1-methylsulfanyl-3-propan-2-ylbenzene;1-methylsulfanyl-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylaniline;4-propan-2-ylbenzamide;4-propan-2-ylbenzoate;3-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanol;1-(4-propan-2-ylphenyl)ethanone;2-(3-propan-2-ylphenyl)propan-2-ol;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-4-(trifluoromethyl)benzene has a molecular weight of 5148.29 g/mol, XLogP of 88.48, 54 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;cumene;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-propan-2-ylbenzene;ethyl 4-propan-2-ylbenzoate;1-fluoro-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylaniline;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylphenol;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzamide;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 4-propan-2-ylbenzoate;1-methylsulfanyl-3-propan-2-ylbenzene;1-methylsulfanyl-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylaniline;4-propan-2-ylbenzamide;4-propan-2-ylbenzoate;3-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanol;1-(4-propan-2-ylphenyl)ethanone;2-(3-propan-2-ylphenyl)propan-2-ol;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 158386603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).