2-chloro-5-propan-2-ylphenol;3-chloro-2-propan-2-ylthiophene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;bis(1,4-dimethyl-2-propan-2-ylbenzene);2,4-dimethyl-1-propan-2-ylbenzene;4,5-di(propan-2-yl)-1H-pyrazole;methane;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylimidazole;1-methyl-7-propan-2-ylindole;2-methyl-3-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;bis(3-methyl-4-propan-2-ylpyridine);1-methyl-2-propan-2-ylpyrrole;4-phenyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-indole;1-(3-propan-2-ylphenyl)ethanone;3-(2-propan-2-ylphenyl)pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;7-propan-2-ylquinoline

C264H388Cl2N18O4S — CID 161482880

IUPAC2-chloro-5-propan-2-ylphenol;3-chloro-2-propan-2-ylthiophene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;bis(1,4-dimethyl-2-propan-2-ylbenzene);2,4-dimethyl-1-propan-2-ylbenzene;4,5-di(propan-2-yl)-1H-pyrazole;methane;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylimidazole;1-methyl-7-propan-2-ylindole;2-methyl-3-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;bis(3-methyl-4-propan-2-ylpyridine);1-methyl-2-propan-2-ylpyrrole;4-phenyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-indole;1-(3-propan-2-ylphenyl)ethanone;3-(2-propan-2-ylphenyl)pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;7-propan-2-ylquinoline
SMILESC.C.C.C.C.C.C.C.C.C.C.CC(=O)c1cccc(C(C)C)c1.CC(C)c1cc(-c2ccccc2)ccn1.CC(C)c1cc2ccccc2[nH]1.CC(C)c1ccc(C#N)nc1.CC(C)c1ccc(Cl)c(O)c1.CC(C)c1ccc2cccnc2c1.CC(C)c1cccc2ccn(C)c12.CC(C)c1ccccc1-c1cccnc1.CC(C)c1cccn1C.CC(C)c1cn[nH]c1C(C)C.CC(C)c1ncccn1.CC(C)c1nccn1C.CC(C)c1sccc1Cl.COc1ccc(C(C)C)c(C)c1.COc1cccc(C(C)C)c1C.Cc1cc(C)cc(C(C)C)c1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)cc1C.Cc1ccc(C)c(C(C)C)c1.Cc1ccc(C)c(C(C)C)c1.Cc1cccc(C(C)C)n1.Cc1ccccc1C(C)C.Cc1cnccc1C(C)C.Cc1cnccc1C(C)C.Cc1ncccc1C(C)C
InChIInChI=1S/2C14H15N.C12H15N.C12H13N.C11H13N.2C11H16O.C11H14O.5C11H16.C10H14.C9H11ClO.C9H16N2.C9H10N2.4C9H13N.C8H13N.C7H9ClS.C7H12N2.C7H10N2.11CH4/c1-11(2)13-7-3-4-8-14(13)12-6-5-9-15-10-12;1-11(2)14-10-13(8-9-15-14)12-6-4-3-5-7-12;1-9(2)11-6-4-5-10-7-8-13(3)12(10)11;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)11-6-5-10(12-4)7-9(11)3;1-8(2)10-6-5-7-11(12-4)9(10)3;1-8(2)10-5-4-6-11(7-10)9(3)12;1-8(2)11-6-9(3)5-10(4)7-11;1-8(2)11-6-5-9(3)10(4)7-11;1-8(2)11-6-5-9(3)7-10(11)4;2*1-8(2)11-7-9(3)5-6-10(11)4;1-8(2)10-7-5-4-6-9(10)3;1-6(2)7-3-4-8(10)9(11)5-7;1-6(2)8-5-10-11-9(8)7(3)4;1-7(2)8-3-4-9(5-10)11-6-8;2*1-7(2)9-4-5-10-6-8(9)3;1-7(2)9-5-4-6-10-8(9)3;1-7(2)9-6-4-5-8(3)10-9;1-7(2)8-5-4-6-9(8)3;1-5(2)7-6(8)3-4-9-7;1-6(2)7-8-4-5-9(7)3;1-6(2)7-8-4-3-5-9-7;;;;;;;;;;;/h2*3-11H,1-2H3;4-9H,1-3H3;3-9H,1-2H3;3-8,12H,1-2H3;2*5-8H,1-4H3;4-8H,1-3H3;5*5-8H,1-4H3;4-8H,1-3H3;3-6,11H,1-2H3;5-7H,1-4H3,(H,10,11);3-4,6-7H,1-2H3;4*4-7H,1-3H3;4-7H,1-3H3;3-5H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;11*1H4
InChIKeyWEPDTDRLRGUXRW-UHFFFAOYSA-N
MW3981.10 g/mol
LogP80.98
Rot. Bonds31

About 2-chloro-5-propan-2-ylphenol;3-chloro-2-propan-2-ylthiophene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;bis(1,4-dimethyl-2-propan-2-ylbenzene);2,4-dimethyl-1-propan-2-ylbenzene;4,5-di(propan-2-yl)-1H-pyrazole;methane;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylimidazole;1-methyl-7-propan-2-ylindole;2-methyl-3-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;bis(3-methyl-4-propan-2-ylpyridine);1-methyl-2-propan-2-ylpyrrole;4-phenyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-indole;1-(3-propan-2-ylphenyl)ethanone;3-(2-propan-2-ylphenyl)pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;7-propan-2-ylquinoline

2-chloro-5-propan-2-ylphenol;3-chloro-2-propan-2-ylthiophene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;bis(1,4-dimethyl-2-propan-2-ylbenzene);2,4-dimethyl-1-propan-2-ylbenzene;4,5-di(propan-2-yl)-1H-pyrazole;methane;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylimidazole;1-methyl-7-propan-2-ylindole;2-methyl-3-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;bis(3-methyl-4-propan-2-ylpyridine);1-methyl-2-propan-2-ylpyrrole;4-phenyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-indole;1-(3-propan-2-ylphenyl)ethanone;3-(2-propan-2-ylphenyl)pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;7-propan-2-ylquinoline (PubChem CID 161482880) has the molecular formula C264H388Cl2N18O4S and a molecular weight of 3981.10 g/mol. Its IUPAC name is 2-chloro-5-propan-2-ylphenol;3-chloro-2-propan-2-ylthiophene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;bis(1,4-dimethyl-2-propan-2-ylbenzene);2,4-dimethyl-1-propan-2-ylbenzene;4,5-di(propan-2-yl)-1H-pyrazole;methane;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylimidazole;1-methyl-7-propan-2-ylindole;2-methyl-3-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;bis(3-methyl-4-propan-2-ylpyridine);1-methyl-2-propan-2-ylpyrrole;4-phenyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-indole;1-(3-propan-2-ylphenyl)ethanone;3-(2-propan-2-ylphenyl)pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;7-propan-2-ylquinoline.

Molecular Properties

Compound Name2-chloro-5-propan-2-ylphenol;3-chloro-2-propan-2-ylthiophene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;bis(1,4-dimethyl-2-propan-2-ylbenzene);2,4-dimethyl-1-propan-2-ylbenzene;4,5-di(propan-2-yl)-1H-pyrazole;methane;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylimidazole;1-methyl-7-propan-2-ylindole;2-methyl-3-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;bis(3-methyl-4-propan-2-ylpyridine);1-methyl-2-propan-2-ylpyrrole;4-phenyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-indole;1-(3-propan-2-ylphenyl)ethanone;3-(2-propan-2-ylphenyl)pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;7-propan-2-ylquinoline
PubChem CID161482880
Molecular FormulaC264H388Cl2N18O4S
Molecular Weight3981.10 g/mol
Exact Mass3976.98
IUPAC Name2-chloro-5-propan-2-ylphenol;3-chloro-2-propan-2-ylthiophene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;bis(1,4-dimethyl-2-propan-2-ylbenzene);2,4-dimethyl-1-propan-2-ylbenzene;4,5-di(propan-2-yl)-1H-pyrazole;methane;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylimidazole;1-methyl-7-propan-2-ylindole;2-methyl-3-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;bis(3-methyl-4-propan-2-ylpyridine);1-methyl-2-propan-2-ylpyrrole;4-phenyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-indole;1-(3-propan-2-ylphenyl)ethanone;3-(2-propan-2-ylphenyl)pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;7-propan-2-ylquinoline
SMILESC.C.C.C.C.C.C.C.C.C.C.CC(=O)c1cccc(C(C)C)c1.CC(C)c1cc(-c2ccccc2)ccn1.CC(C)c1cc2ccccc2[nH]1.CC(C)c1ccc(C#N)nc1.CC(C)c1ccc(Cl)c(O)c1.CC(C)c1ccc2cccnc2c1.CC(C)c1cccc2ccn(C)c12.CC(C)c1ccccc1-c1cccnc1.CC(C)c1cccn1C.CC(C)c1cn[nH]c1C(C)C.CC(C)c1ncccn1.CC(C)c1nccn1C.CC(C)c1sccc1Cl.COc1ccc(C(C)C)c(C)c1.COc1cccc(C(C)C)c1C.Cc1cc(C)cc(C(C)C)c1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)cc1C.Cc1ccc(C)c(C(C)C)c1.Cc1ccc(C)c(C(C)C)c1.Cc1cccc(C(C)C)n1.Cc1ccccc1C(C)C.Cc1cnccc1C(C)C.Cc1cnccc1C(C)C.Cc1ncccc1C(C)C
InChIInChI=1S/2C14H15N.C12H15N.C12H13N.C11H13N.2C11H16O.C11H14O.5C11H16.C10H14.C9H11ClO.C9H16N2.C9H10N2.4C9H13N.C8H13N.C7H9ClS.C7H12N2.C7H10N2.11CH4/c1-11(2)13-7-3-4-8-14(13)12-6-5-9-15-10-12;1-11(2)14-10-13(8-9-15-14)12-6-4-3-5-7-12;1-9(2)11-6-4-5-10-7-8-13(3)12(10)11;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)11-6-5-10(12-4)7-9(11)3;1-8(2)10-6-5-7-11(12-4)9(10)3;1-8(2)10-5-4-6-11(7-10)9(3)12;1-8(2)11-6-9(3)5-10(4)7-11;1-8(2)11-6-5-9(3)10(4)7-11;1-8(2)11-6-5-9(3)7-10(11)4;2*1-8(2)11-7-9(3)5-6-10(11)4;1-8(2)10-7-5-4-6-9(10)3;1-6(2)7-3-4-8(10)9(11)5-7;1-6(2)8-5-10-11-9(8)7(3)4;1-7(2)8-3-4-9(5-10)11-6-8;2*1-7(2)9-4-5-10-6-8(9)3;1-7(2)9-5-4-6-10-8(9)3;1-7(2)9-6-4-5-8(3)10-9;1-7(2)8-5-4-6-9(8)3;1-5(2)7-6(8)3-4-9-7;1-6(2)7-8-4-5-9(7)3;1-6(2)7-8-4-3-5-9-7;;;;;;;;;;;/h2*3-11H,1-2H3;4-9H,1-3H3;3-9H,1-2H3;3-8,12H,1-2H3;2*5-8H,1-4H3;4-8H,1-3H3;5*5-8H,1-4H3;4-8H,1-3H3;3-6,11H,1-2H3;5-7H,1-4H3,(H,10,11);3-4,6-7H,1-2H3;4*4-7H,1-3H3;4-7H,1-3H3;3-5H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;11*1H4
InChIKeyWEPDTDRLRGUXRW-UHFFFAOYSA-N
XLogP80.98
TPSA280.60 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds31
Heavy Atoms289
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003981.10
LogP ≤ 580.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Analyze 2-chloro-5-propan-2-ylphenol;3-chloro-2-propan-2-ylthiophene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;bis(1,4-dimethyl-2-propan-2-ylbenzene);2,4-dimethyl-1-propan-2-ylbenzene;4,5-di(propan-2-yl)-1H-pyrazole;methane;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylimidazole;1-methyl-7-propan-2-ylindole;2-methyl-3-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;bis(3-methyl-4-propan-2-ylpyridine);1-methyl-2-propan-2-ylpyrrole;4-phenyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-indole;1-(3-propan-2-ylphenyl)ethanone;3-(2-propan-2-ylphenyl)pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;7-propan-2-ylquinoline with MolForge

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Launch Full Analysis

Related Compounds

2-chloro-1-methoxy-3-propan-2-ylbenzene;3-chloro-2-propan-2-ylthiophene;2,5-dichloro-4-propan-2-ylpyridine;1,3-dimethyl-5-propan-2-ylbenzene;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;2-fluoro-3-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;4-methoxy-2-methyl-1-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;1-methyl-2-propan-2-ylimidazole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylphenol;2-methyl-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;2-propan-2-yl-1H-indole;1-(3-propan-2-ylphenyl)ethanone;3-(2-propan-2-ylphenyl)pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;4-propan-2-yl-3-(trifluoromethyl)pyridine
CID 159579774
2-chloro-1-methoxy-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylphenol;1,3-dimethyl-5-propan-2-ylbenzene;4,5-di(propan-2-yl)-1H-pyrazole;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;2-fluoro-3-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;1-methoxy-4-methyl-2-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylimidazole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylphenol;2-methyl-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;4-phenyl-2-propan-2-ylpyridine;2-propan-2-ylbenzonitrile;2-propan-2-yl-1H-indole;1-(3-propan-2-ylphenyl)ethanone;3-(2-propan-2-ylphenyl)pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;7-propan-2-ylquinoline;4-propan-2-yl-3-(trifluoromethyl)pyridine
CID 160281062
CID 161254180
CID 161254180
3-chloro-2-propan-2-ylthiophene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylimidazole;1-methyl-7-propan-2-ylindole;2-methyl-3-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;bis(3-methyl-4-propan-2-ylpyridine);1-methyl-2-propan-2-ylpyrrole;4-phenyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-indole;1-(3-propan-2-ylphenyl)ethanone;3-(2-propan-2-ylphenyl)pyridine;2-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile
CID 157479207
CID 158355047
CID 158355047
CID 158717914
CID 158717914
3-[[5-chloro-1-methyl-3-(phenylsulfanylmethyl)pyrazol-4-yl]methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(3-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-thiophen-2-ylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide
CID 159510068
CID 159530872
CID 159530872
3-chloro-2-propan-2-ylthiophene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;4,5-di(propan-2-yl)-1H-pyrazole;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-2-propan-2-ylimidazole;1-methyl-7-propan-2-ylindole;2-methyl-3-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;bis(3-methyl-4-propan-2-ylpyridine);1-methyl-2-propan-2-ylpyrrole;4-phenyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-indole;1-(3-propan-2-ylphenyl)ethanone;3-(2-propan-2-ylphenyl)pyridine;2-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile
CID 159602773
1-chloro-2-methyl-4-propan-2-ylbenzene;3-chloro-2-propan-2-ylthiophene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;4,5-di(propan-2-yl)-1H-pyrazole;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;methane;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-2-propan-2-ylimidazole;1-methyl-7-propan-2-ylindole;2-methyl-6-propan-2-ylpyridine;bis(3-methyl-4-propan-2-ylpyridine);1-methyl-2-propan-2-ylpyrrole;4-phenyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-indole;1-(3-propan-2-ylphenyl)ethanone;3-(2-propan-2-ylphenyl)pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;7-propan-2-ylquinoline
CID 159783225
CID 159903136
CID 159903136
7-methyl-6-propan-2-ylnaphthalen-1-ol;4-(5-methyl-4-propan-2-yltriazol-1-yl)-1,2,5-oxadiazol-3-amine;4-(5-phenyl-4-propan-2-yltriazol-1-yl)-1,2,5-oxadiazol-3-amine;2-propan-2-ylimidazo[1,2-a]pyridine-6-carbonitrile;2-propan-2-ylimidazo[1,2-a]pyridine-7-carbonitrile;2-propan-2-ylimidazo[1,2-a]pyridine-7-carboxamide;2-propan-2-yl-1H-indole-6-carbonitrile;2-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;5-(4-propan-2-ylphenyl)-1H-pyrazole;4-[3-(4-propan-2-ylphenyl)-1H-pyrazol-5-yl]pyridine;4-(4-propan-2-ylphenyl)pyridine;6-propan-2-yl-1H-quinolin-2-one;5-(5-propan-2-ylthiophen-2-yl)pyridin-2-amine
CID 159914144

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-propan-2-ylphenol;3-chloro-2-propan-2-ylthiophene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;bis(1,4-dimethyl-2-propan-2-ylbenzene);2,4-dimethyl-1-propan-2-ylbenzene;4,5-di(propan-2-yl)-1H-pyrazole;methane;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylimidazole;1-methyl-7-propan-2-ylindole;2-methyl-3-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;bis(3-methyl-4-propan-2-ylpyridine);1-methyl-2-propan-2-ylpyrrole;4-phenyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-indole;1-(3-propan-2-ylphenyl)ethanone;3-(2-propan-2-ylphenyl)pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;7-propan-2-ylquinoline?
The IUPAC name of 2-chloro-5-propan-2-ylphenol;3-chloro-2-propan-2-ylthiophene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;bis(1,4-dimethyl-2-propan-2-ylbenzene);2,4-dimethyl-1-propan-2-ylbenzene;4,5-di(propan-2-yl)-1H-pyrazole;methane;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylimidazole;1-methyl-7-propan-2-ylindole;2-methyl-3-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;bis(3-methyl-4-propan-2-ylpyridine);1-methyl-2-propan-2-ylpyrrole;4-phenyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-indole;1-(3-propan-2-ylphenyl)ethanone;3-(2-propan-2-ylphenyl)pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;7-propan-2-ylquinoline (CID 161482880) is 2-chloro-5-propan-2-ylphenol;3-chloro-2-propan-2-ylthiophene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;bis(1,4-dimethyl-2-propan-2-ylbenzene);2,4-dimethyl-1-propan-2-ylbenzene;4,5-di(propan-2-yl)-1H-pyrazole;methane;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylimidazole;1-methyl-7-propan-2-ylindole;2-methyl-3-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;bis(3-methyl-4-propan-2-ylpyridine);1-methyl-2-propan-2-ylpyrrole;4-phenyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-indole;1-(3-propan-2-ylphenyl)ethanone;3-(2-propan-2-ylphenyl)pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;7-propan-2-ylquinoline.
What is the SMILES notation for 2-chloro-5-propan-2-ylphenol;3-chloro-2-propan-2-ylthiophene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;bis(1,4-dimethyl-2-propan-2-ylbenzene);2,4-dimethyl-1-propan-2-ylbenzene;4,5-di(propan-2-yl)-1H-pyrazole;methane;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylimidazole;1-methyl-7-propan-2-ylindole;2-methyl-3-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;bis(3-methyl-4-propan-2-ylpyridine);1-methyl-2-propan-2-ylpyrrole;4-phenyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-indole;1-(3-propan-2-ylphenyl)ethanone;3-(2-propan-2-ylphenyl)pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;7-propan-2-ylquinoline?
The canonical SMILES for 2-chloro-5-propan-2-ylphenol;3-chloro-2-propan-2-ylthiophene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;bis(1,4-dimethyl-2-propan-2-ylbenzene);2,4-dimethyl-1-propan-2-ylbenzene;4,5-di(propan-2-yl)-1H-pyrazole;methane;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylimidazole;1-methyl-7-propan-2-ylindole;2-methyl-3-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;bis(3-methyl-4-propan-2-ylpyridine);1-methyl-2-propan-2-ylpyrrole;4-phenyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-indole;1-(3-propan-2-ylphenyl)ethanone;3-(2-propan-2-ylphenyl)pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;7-propan-2-ylquinoline is C.C.C.C.C.C.C.C.C.C.C.CC(=O)c1cccc(C(C)C)c1.CC(C)c1cc(-c2ccccc2)ccn1.CC(C)c1cc2ccccc2[nH]1.CC(C)c1ccc(C#N)nc1.CC(C)c1ccc(Cl)c(O)c1.CC(C)c1ccc2cccnc2c1.CC(C)c1cccc2ccn(C)c12.CC(C)c1ccccc1-c1cccnc1.CC(C)c1cccn1C.CC(C)c1cn[nH]c1C(C)C.CC(C)c1ncccn1.CC(C)c1nccn1C.CC(C)c1sccc1Cl.COc1ccc(C(C)C)c(C)c1.COc1cccc(C(C)C)c1C.Cc1cc(C)cc(C(C)C)c1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)cc1C.Cc1ccc(C)c(C(C)C)c1.Cc1ccc(C)c(C(C)C)c1.Cc1cccc(C(C)C)n1.Cc1ccccc1C(C)C.Cc1cnccc1C(C)C.Cc1cnccc1C(C)C.Cc1ncccc1C(C)C.
What is the InChIKey of 2-chloro-5-propan-2-ylphenol;3-chloro-2-propan-2-ylthiophene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;bis(1,4-dimethyl-2-propan-2-ylbenzene);2,4-dimethyl-1-propan-2-ylbenzene;4,5-di(propan-2-yl)-1H-pyrazole;methane;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylimidazole;1-methyl-7-propan-2-ylindole;2-methyl-3-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;bis(3-methyl-4-propan-2-ylpyridine);1-methyl-2-propan-2-ylpyrrole;4-phenyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-indole;1-(3-propan-2-ylphenyl)ethanone;3-(2-propan-2-ylphenyl)pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;7-propan-2-ylquinoline?
The InChIKey is WEPDTDRLRGUXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H15N.C12H15N.C12H13N.C11H13N.2C11H16O.C11H14O.5C11H16.C10H14.C9H11ClO.C9H16N2.C9H10N2.4C9H13N.C8H13N.C7H9ClS.C7H12N2.C7H10N2.11CH4/c1-11(2)13-7-3-4-8-14(13)12-6-5-9-15-10-12;1-11(2)14-10-13(8-9-15-14)12-6-4-3-5-7-12;1-9(2)11-6-4-5-10-7-8-13(3)12(10)11;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)11-6-5-10(12-4)7-9(11)3;1-8(2)10-6-5-7-11(12-4)9(10)3;1-8(2)10-5-4-6-11(7-10)9(3)12;1-8(2)11-6-9(3)5-10(4)7-11;1-8(2)11-6-5-9(3)10(4)7-11;1-8(2)11-6-5-9(3)7-10(11)4;2*1-8(2)11-7-9(3)5-6-10(11)4;1-8(2)10-7-5-4-6-9(10)3;1-6(2)7-3-4-8(10)9(11)5-7;1-6(2)8-5-10-11-9(8)7(3)4;1-7(2)8-3-4-9(5-10)11-6-8;2*1-7(2)9-4-5-10-6-8(9)3;1-7(2)9-5-4-6-10-8(9)3;1-7(2)9-6-4-5-8(3)10-9;1-7(2)8-5-4-6-9(8)3;1-5(2)7-6(8)3-4-9-7;1-6(2)7-8-4-5-9(7)3;1-6(2)7-8-4-3-5-9-7;;;;;;;;;;;/h2*3-11H,1-2H3;4-9H,1-3H3;3-9H,1-2H3;3-8,12H,1-2H3;2*5-8H,1-4H3;4-8H,1-3H3;5*5-8H,1-4H3;4-8H,1-3H3;3-6,11H,1-2H3;5-7H,1-4H3,(H,10,11);3-4,6-7H,1-2H3;4*4-7H,1-3H3;4-7H,1-3H3;3-5H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;11*1H4.
What are the key properties of 2-chloro-5-propan-2-ylphenol;3-chloro-2-propan-2-ylthiophene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;bis(1,4-dimethyl-2-propan-2-ylbenzene);2,4-dimethyl-1-propan-2-ylbenzene;4,5-di(propan-2-yl)-1H-pyrazole;methane;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylimidazole;1-methyl-7-propan-2-ylindole;2-methyl-3-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;bis(3-methyl-4-propan-2-ylpyridine);1-methyl-2-propan-2-ylpyrrole;4-phenyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-indole;1-(3-propan-2-ylphenyl)ethanone;3-(2-propan-2-ylphenyl)pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;7-propan-2-ylquinoline?
2-chloro-5-propan-2-ylphenol;3-chloro-2-propan-2-ylthiophene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;bis(1,4-dimethyl-2-propan-2-ylbenzene);2,4-dimethyl-1-propan-2-ylbenzene;4,5-di(propan-2-yl)-1H-pyrazole;methane;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylimidazole;1-methyl-7-propan-2-ylindole;2-methyl-3-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;bis(3-methyl-4-propan-2-ylpyridine);1-methyl-2-propan-2-ylpyrrole;4-phenyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-indole;1-(3-propan-2-ylphenyl)ethanone;3-(2-propan-2-ylphenyl)pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;7-propan-2-ylquinoline has a molecular weight of 3981.10 g/mol, XLogP of 80.98, 31 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-propan-2-ylphenol;3-chloro-2-propan-2-ylthiophene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;bis(1,4-dimethyl-2-propan-2-ylbenzene);2,4-dimethyl-1-propan-2-ylbenzene;4,5-di(propan-2-yl)-1H-pyrazole;methane;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylimidazole;1-methyl-7-propan-2-ylindole;2-methyl-3-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;bis(3-methyl-4-propan-2-ylpyridine);1-methyl-2-propan-2-ylpyrrole;4-phenyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-indole;1-(3-propan-2-ylphenyl)ethanone;3-(2-propan-2-ylphenyl)pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;7-propan-2-ylquinoline is sourced from PubChem (CID 161482880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).