4-(3-chloro-4-methylphenyl)-1,2,4-triazole;2-chloro-1-methyl-4-propan-2-yloxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2,4-dimethyl-1H-benzimidazole;2,7-dimethyl-1,3-benzoxazole;1,4-dimethylindazole;1,7-dimethylindazole;1-ethoxy-2-methoxy-4-methylbenzene;1-ethyl-2,4-dimethylbenzene;1-ethyl-2-methoxy-4-methylbenzene;2-fluoro-1-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;2-methoxy-1,3,5-trimethylbenzene;8-methyl-3,4-dihydro-2H-chromene;1-methyl-2-propan-2-yloxybenzene;1-methyl-4-propan-2-yloxybenzene;2-methyl-6-propan-2-ylphenol;1-methyl-4-propan-2-ylsulfinylbenzene;1-methyl-4-propoxybenzene;5-methylquinoxaline

C194H245Cl3F2N12O15S — CID 158197993

IUPAC4-(3-chloro-4-methylphenyl)-1,2,4-triazole;2-chloro-1-methyl-4-propan-2-yloxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2,4-dimethyl-1H-benzimidazole;2,7-dimethyl-1,3-benzoxazole;1,4-dimethylindazole;1,7-dimethylindazole;1-ethoxy-2-methoxy-4-methylbenzene;1-ethyl-2,4-dimethylbenzene;1-ethyl-2-methoxy-4-methylbenzene;2-fluoro-1-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;2-methoxy-1,3,5-trimethylbenzene;8-methyl-3,4-dihydro-2H-chromene;1-methyl-2-propan-2-yloxybenzene;1-methyl-4-propan-2-yloxybenzene;2-methyl-6-propan-2-ylphenol;1-methyl-4-propan-2-ylsulfinylbenzene;1-methyl-4-propoxybenzene;5-methylquinoxaline
SMILESCCCOc1ccc(C)cc1.CCOc1ccc(C)cc1OC.CCc1ccc(C)cc1C.CCc1ccc(C)cc1OC.COc1c(C)cc(C)cc1C.Cc1ccc(-n2cnnc2)cc1Cl.Cc1ccc(OC(C)C)c(Cl)c1.Cc1ccc(OC(C)C)c(F)c1.Cc1ccc(OC(C)C)cc1.Cc1ccc(OC(C)C)cc1Cl.Cc1ccc(OC(C)C)cc1F.Cc1ccc(S(=O)C(C)C)cc1.Cc1cccc(C(C)C)c1O.Cc1cccc2c1OCCC2.Cc1cccc2c1cnn2C.Cc1cccc2cnn(C)c12.Cc1cccc2nccnc12.Cc1ccccc1OC(C)C.Cc1nc2c(C)cccc2[nH]1.Cc1nc2cccc(C)c2o1
InChIInChI=1S/2C10H13ClO.2C10H13FO.C10H14O2.C10H14OS.C10H12O.6C10H14O.C10H14.C9H8ClN3.3C9H10N2.C9H8N2.C9H9NO/c1-7(2)12-9-5-4-8(3)10(11)6-9;1-7(2)12-10-5-4-8(3)6-9(10)11;1-7(2)12-9-5-4-8(3)10(11)6-9;1-7(2)12-10-5-4-8(3)6-9(10)11;1-4-12-9-6-5-8(2)7-10(9)11-3;1-8(2)12(11)10-6-4-9(3)5-7-10;1-8-4-2-5-9-6-3-7-11-10(8)9;1-7-5-8(2)10(11-4)9(3)6-7;1-8(2)11-10-6-4-9(3)5-7-10;1-8(2)11-10-7-5-4-6-9(10)3;1-7(2)9-6-4-5-8(3)10(9)11;1-4-9-6-5-8(2)7-10(9)11-3;1-3-8-11-10-6-4-9(2)5-7-10;1-4-10-6-5-8(2)7-9(10)3;1-7-2-3-8(4-9(7)10)13-5-11-12-6-13;1-7-4-3-5-9-8(7)6-10-11(9)2;1-7-4-3-5-8-6-10-11(2)9(7)8;1-6-4-3-5-8-9(6)11-7(2)10-8;1-7-3-2-4-8-9(7)11-6-5-10-8;1-6-4-3-5-8-9(6)11-7(2)10-8/h4*4-7H,1-3H3;5-7H,4H2,1-3H3;4-8H,1-3H3;2,4-5H,3,6-7H2,1H3;5-6H,1-4H3;2*4-8H,1-3H3;4-7,11H,1-3H3;5-7H,4H2,1-3H3;4-7H,3,8H2,1-2H3;5-7H,4H2,1-3H3;2-6H,1H3;2*3-6H,1-2H3;3-5H,1-2H3,(H,10,11);2-6H,1H3;3-5H,1-2H3
InChIKeyGAOPCYMBTASFQV-UHFFFAOYSA-N
MW3161.58 g/mol
LogP51.73
Rot. Bonds26

About 4-(3-chloro-4-methylphenyl)-1,2,4-triazole;2-chloro-1-methyl-4-propan-2-yloxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2,4-dimethyl-1H-benzimidazole;2,7-dimethyl-1,3-benzoxazole;1,4-dimethylindazole;1,7-dimethylindazole;1-ethoxy-2-methoxy-4-methylbenzene;1-ethyl-2,4-dimethylbenzene;1-ethyl-2-methoxy-4-methylbenzene;2-fluoro-1-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;2-methoxy-1,3,5-trimethylbenzene;8-methyl-3,4-dihydro-2H-chromene;1-methyl-2-propan-2-yloxybenzene;1-methyl-4-propan-2-yloxybenzene;2-methyl-6-propan-2-ylphenol;1-methyl-4-propan-2-ylsulfinylbenzene;1-methyl-4-propoxybenzene;5-methylquinoxaline

4-(3-chloro-4-methylphenyl)-1,2,4-triazole;2-chloro-1-methyl-4-propan-2-yloxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2,4-dimethyl-1H-benzimidazole;2,7-dimethyl-1,3-benzoxazole;1,4-dimethylindazole;1,7-dimethylindazole;1-ethoxy-2-methoxy-4-methylbenzene;1-ethyl-2,4-dimethylbenzene;1-ethyl-2-methoxy-4-methylbenzene;2-fluoro-1-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;2-methoxy-1,3,5-trimethylbenzene;8-methyl-3,4-dihydro-2H-chromene;1-methyl-2-propan-2-yloxybenzene;1-methyl-4-propan-2-yloxybenzene;2-methyl-6-propan-2-ylphenol;1-methyl-4-propan-2-ylsulfinylbenzene;1-methyl-4-propoxybenzene;5-methylquinoxaline (PubChem CID 158197993) has the molecular formula C194H245Cl3F2N12O15S and a molecular weight of 3161.58 g/mol. Its IUPAC name is 4-(3-chloro-4-methylphenyl)-1,2,4-triazole;2-chloro-1-methyl-4-propan-2-yloxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2,4-dimethyl-1H-benzimidazole;2,7-dimethyl-1,3-benzoxazole;1,4-dimethylindazole;1,7-dimethylindazole;1-ethoxy-2-methoxy-4-methylbenzene;1-ethyl-2,4-dimethylbenzene;1-ethyl-2-methoxy-4-methylbenzene;2-fluoro-1-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;2-methoxy-1,3,5-trimethylbenzene;8-methyl-3,4-dihydro-2H-chromene;1-methyl-2-propan-2-yloxybenzene;1-methyl-4-propan-2-yloxybenzene;2-methyl-6-propan-2-ylphenol;1-methyl-4-propan-2-ylsulfinylbenzene;1-methyl-4-propoxybenzene;5-methylquinoxaline.

Molecular Properties

Compound Name4-(3-chloro-4-methylphenyl)-1,2,4-triazole;2-chloro-1-methyl-4-propan-2-yloxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2,4-dimethyl-1H-benzimidazole;2,7-dimethyl-1,3-benzoxazole;1,4-dimethylindazole;1,7-dimethylindazole;1-ethoxy-2-methoxy-4-methylbenzene;1-ethyl-2,4-dimethylbenzene;1-ethyl-2-methoxy-4-methylbenzene;2-fluoro-1-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;2-methoxy-1,3,5-trimethylbenzene;8-methyl-3,4-dihydro-2H-chromene;1-methyl-2-propan-2-yloxybenzene;1-methyl-4-propan-2-yloxybenzene;2-methyl-6-propan-2-ylphenol;1-methyl-4-propan-2-ylsulfinylbenzene;1-methyl-4-propoxybenzene;5-methylquinoxaline
PubChem CID158197993
Molecular FormulaC194H245Cl3F2N12O15S
Molecular Weight3161.58 g/mol
Exact Mass3157.75
IUPAC Name4-(3-chloro-4-methylphenyl)-1,2,4-triazole;2-chloro-1-methyl-4-propan-2-yloxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2,4-dimethyl-1H-benzimidazole;2,7-dimethyl-1,3-benzoxazole;1,4-dimethylindazole;1,7-dimethylindazole;1-ethoxy-2-methoxy-4-methylbenzene;1-ethyl-2,4-dimethylbenzene;1-ethyl-2-methoxy-4-methylbenzene;2-fluoro-1-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;2-methoxy-1,3,5-trimethylbenzene;8-methyl-3,4-dihydro-2H-chromene;1-methyl-2-propan-2-yloxybenzene;1-methyl-4-propan-2-yloxybenzene;2-methyl-6-propan-2-ylphenol;1-methyl-4-propan-2-ylsulfinylbenzene;1-methyl-4-propoxybenzene;5-methylquinoxaline
SMILESCCCOc1ccc(C)cc1.CCOc1ccc(C)cc1OC.CCc1ccc(C)cc1C.CCc1ccc(C)cc1OC.COc1c(C)cc(C)cc1C.Cc1ccc(-n2cnnc2)cc1Cl.Cc1ccc(OC(C)C)c(Cl)c1.Cc1ccc(OC(C)C)c(F)c1.Cc1ccc(OC(C)C)cc1.Cc1ccc(OC(C)C)cc1Cl.Cc1ccc(OC(C)C)cc1F.Cc1ccc(S(=O)C(C)C)cc1.Cc1cccc(C(C)C)c1O.Cc1cccc2c1OCCC2.Cc1cccc2c1cnn2C.Cc1cccc2cnn(C)c12.Cc1cccc2nccnc12.Cc1ccccc1OC(C)C.Cc1nc2c(C)cccc2[nH]1.Cc1nc2cccc(C)c2o1
InChIInChI=1S/2C10H13ClO.2C10H13FO.C10H14O2.C10H14OS.C10H12O.6C10H14O.C10H14.C9H8ClN3.3C9H10N2.C9H8N2.C9H9NO/c1-7(2)12-9-5-4-8(3)10(11)6-9;1-7(2)12-10-5-4-8(3)6-9(10)11;1-7(2)12-9-5-4-8(3)10(11)6-9;1-7(2)12-10-5-4-8(3)6-9(10)11;1-4-12-9-6-5-8(2)7-10(9)11-3;1-8(2)12(11)10-6-4-9(3)5-7-10;1-8-4-2-5-9-6-3-7-11-10(8)9;1-7-5-8(2)10(11-4)9(3)6-7;1-8(2)11-10-6-4-9(3)5-7-10;1-8(2)11-10-7-5-4-6-9(10)3;1-7(2)9-6-4-5-8(3)10(9)11;1-4-9-6-5-8(2)7-10(9)11-3;1-3-8-11-10-6-4-9(2)5-7-10;1-4-10-6-5-8(2)7-9(10)3;1-7-2-3-8(4-9(7)10)13-5-11-12-6-13;1-7-4-3-5-9-8(7)6-10-11(9)2;1-7-4-3-5-8-6-10-11(2)9(7)8;1-6-4-3-5-8-9(6)11-7(2)10-8;1-7-3-2-4-8-9(7)11-6-5-10-8;1-6-4-3-5-8-9(6)11-7(2)10-8/h4*4-7H,1-3H3;5-7H,4H2,1-3H3;4-8H,1-3H3;2,4-5H,3,6-7H2,1H3;5-6H,1-4H3;2*4-8H,1-3H3;4-7,11H,1-3H3;5-7H,4H2,1-3H3;4-7H,3,8H2,1-2H3;5-7H,4H2,1-3H3;2-6H,1H3;2*3-6H,1-2H3;3-5H,1-2H3,(H,10,11);2-6H,1H3;3-5H,1-2H3
InChIKeyGAOPCYMBTASFQV-UHFFFAOYSA-N
XLogP51.73
TPSA294.90 Ų
H-Bond Donors2
H-Bond Acceptors26
Rotatable Bonds26
Heavy Atoms227
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003161.58
LogP ≤ 551.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1026

Analyze 4-(3-chloro-4-methylphenyl)-1,2,4-triazole;2-chloro-1-methyl-4-propan-2-yloxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2,4-dimethyl-1H-benzimidazole;2,7-dimethyl-1,3-benzoxazole;1,4-dimethylindazole;1,7-dimethylindazole;1-ethoxy-2-methoxy-4-methylbenzene;1-ethyl-2,4-dimethylbenzene;1-ethyl-2-methoxy-4-methylbenzene;2-fluoro-1-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;2-methoxy-1,3,5-trimethylbenzene;8-methyl-3,4-dihydro-2H-chromene;1-methyl-2-propan-2-yloxybenzene;1-methyl-4-propan-2-yloxybenzene;2-methyl-6-propan-2-ylphenol;1-methyl-4-propan-2-ylsulfinylbenzene;1-methyl-4-propoxybenzene;5-methylquinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-3,6-dimethyl-2H-indazole;7-tert-butyl-5,6-dimethyl-1H-indazole;7-tert-butyl-6-fluoro-3-methyl-2H-indazole;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;6-tert-butyl-1H-isoindole;1-tert-butylisoquinolin-3-amine;1-tert-butyl-2H-isoquinolin-3-one;5-tert-butyl-2-methyl-1,3-benzoxazole;8-tert-butyl-2-methylidene-1H-quinoline;3-tert-butyl-1-methylindazole;7-tert-butyl-6-methyl-1H-indazole;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 158027328
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-3,6-dimethyl-2H-indazole;7-tert-butyl-5,6-dimethyl-1H-indazole;7-tert-butyl-6-fluoro-3-methyl-2H-indazole;6-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;1-tert-butylisoquinolin-3-amine;1-tert-butyl-2H-isoquinolin-3-one;3-tert-butyl-1-methylindazole;6-tert-butyl-3-methyl-2H-indazole;7-tert-butyl-6-methyl-1H-indazole;8-tert-butyl-1H-quinolin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 159447135
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;7-tert-butyl-6-chloro-1H-indazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-6-fluoro-1H-indazole;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;3-tert-butyl-1-methylindazole;7-tert-butyl-6-methyl-1H-indazole;8-tert-butyl-1H-quinolin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 159982689
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;7-tert-butyl-6-chloro-1H-indazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-6-fluoro-1H-indazole;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;5-tert-butyl-2-methyl-1,3-benzoxazole;8-tert-butyl-2-methylidene-1H-quinoline;3-tert-butyl-1-methylindazole;7-tert-butyl-6-methyl-1H-indazole;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 161482828
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-3,6-dimethyl-2H-indazole;7-tert-butyl-5,6-dimethyl-1H-indazole;7-tert-butyl-6-fluoro-3-methyl-2H-indazole;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;6-tert-butyl-1H-isoindole;1-tert-butylisoquinolin-3-amine;1-tert-butyl-2H-isoquinolin-3-one;7-tert-butyl-6-methyl-1H-indazole;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 161817177
4-(3-chloro-4-methylphenyl)-1,2,4-triazole;2-chloro-1-methyl-4-propan-2-yloxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;1,7-dimethylbenzimidazole;2,4-dimethyl-1H-benzimidazole;2,4-dimethylbenzonitrile;2,7-dimethyl-1,3-benzoxazole;1,4-dimethylindazole;1,7-dimethylindazole;1-ethyl-2,4-dimethylbenzene;1-ethyl-2-methoxy-4-methylbenzene;N-ethyl-4-methylbenzenesulfonamide;2-fluoro-1-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;2-methoxy-1,3,5-trimethylbenzene;8-methyl-3,4-dihydro-2H-chromene;1-methyl-2-propan-2-yloxybenzene;1-methyl-4-propan-2-yloxybenzene;2-methyl-6-propan-2-ylphenol;1-methyl-4-propoxybenzene;5-methylquinoxaline;N,N,4-trimethylbenzenesulfonamide
CID 158228412
4-(3-chloro-4-methylphenyl)-1,2,4-triazole;1,7-dimethylbenzimidazole;2,4-dimethyl-1H-benzimidazole;2,4-dimethylbenzonitrile;2,7-dimethyl-1,3-benzoxazole;1,4-dimethylindazole;1,7-dimethylindazole;1-ethyl-2,4-dimethylbenzene;N-ethyl-4-methylbenzenesulfonamide;4-ethylsulfonyl-2-methoxy-1-methylbenzene;1-ethylsulfonyl-4-methylbenzene;1-methoxy-4-methyl-2-methylsulfonylbenzene;4-methyl-1H-indole;6-methyl-1H-indole;7-methyl-1H-indole;2-(4-methylphenyl)sulfonylethanol;5-methylquinoxaline;N,N,4-trimethylbenzenesulfonamide
CID 158857575
4-(3-chloro-4-methylphenyl)-1,2,4-triazole;1,7-dimethylbenzimidazole;2,4-dimethyl-1H-benzimidazole;2,4-dimethylbenzonitrile;2,7-dimethyl-1,3-benzoxazole;1,4-dimethylindazole;1,7-dimethylindazole;1-ethyl-2,4-dimethylbenzene;N-ethyl-4-methylbenzenesulfonamide;1-ethylsulfonyl-4-methylbenzene;1-methoxy-4-methyl-2-methylsulfonylbenzene;2-methoxy-1-methyl-4-methylsulfonylbenzene;4-methyl-1H-indole;6-methyl-1H-indole;7-methyl-1H-indole;2-(4-methylphenyl)sulfonylethanol;5-methylquinoxaline;N,N,4-trimethylbenzenesulfonamide
CID 160141101
4-(3-chloro-4-methylphenyl)-1,2,4-triazole;2,4-dimethyl-1H-benzimidazole;2,7-dimethyl-1,3-benzoxazole;1,4-dimethylindazole;1,7-dimethylindazole;1-ethyl-2,4-dimethylbenzene;1-ethyl-2-methoxy-4-methylbenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;2-methoxy-1,3,5-trimethylbenzene;8-methyl-3,4-dihydro-2H-chromene;1-methyl-2-propan-2-yloxybenzene;1-methyl-4-propan-2-yloxybenzene;2-methyl-6-propan-2-ylphenol;1-methyl-4-propoxybenzene;5-methylquinoxaline
CID 160217158
2-chloro-1-methoxy-4-propan-2-ylbenzene;2-chloro-6-propan-2-ylpyridine;1-ethoxy-3-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-methoxy-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylindazole;2-methyl-6-propan-2-ylphenol;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-ylthiophene;3-methyl-8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-yl-1,3-oxazole;2-(2-propan-2-ylphenyl)acetonitrile;5-(2-propan-2-ylphenyl)-2H-tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;5-propan-2-ylpyrimidin-4-amine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-ylthiophene-2-carboxamide;4-propan-2-yl-2-(1,2,4-triazol-4-yl)pyridine
CID 162282048

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methylphenyl)-1,2,4-triazole;2-chloro-1-methyl-4-propan-2-yloxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2,4-dimethyl-1H-benzimidazole;2,7-dimethyl-1,3-benzoxazole;1,4-dimethylindazole;1,7-dimethylindazole;1-ethoxy-2-methoxy-4-methylbenzene;1-ethyl-2,4-dimethylbenzene;1-ethyl-2-methoxy-4-methylbenzene;2-fluoro-1-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;2-methoxy-1,3,5-trimethylbenzene;8-methyl-3,4-dihydro-2H-chromene;1-methyl-2-propan-2-yloxybenzene;1-methyl-4-propan-2-yloxybenzene;2-methyl-6-propan-2-ylphenol;1-methyl-4-propan-2-ylsulfinylbenzene;1-methyl-4-propoxybenzene;5-methylquinoxaline?
The IUPAC name of 4-(3-chloro-4-methylphenyl)-1,2,4-triazole;2-chloro-1-methyl-4-propan-2-yloxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2,4-dimethyl-1H-benzimidazole;2,7-dimethyl-1,3-benzoxazole;1,4-dimethylindazole;1,7-dimethylindazole;1-ethoxy-2-methoxy-4-methylbenzene;1-ethyl-2,4-dimethylbenzene;1-ethyl-2-methoxy-4-methylbenzene;2-fluoro-1-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;2-methoxy-1,3,5-trimethylbenzene;8-methyl-3,4-dihydro-2H-chromene;1-methyl-2-propan-2-yloxybenzene;1-methyl-4-propan-2-yloxybenzene;2-methyl-6-propan-2-ylphenol;1-methyl-4-propan-2-ylsulfinylbenzene;1-methyl-4-propoxybenzene;5-methylquinoxaline (CID 158197993) is 4-(3-chloro-4-methylphenyl)-1,2,4-triazole;2-chloro-1-methyl-4-propan-2-yloxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2,4-dimethyl-1H-benzimidazole;2,7-dimethyl-1,3-benzoxazole;1,4-dimethylindazole;1,7-dimethylindazole;1-ethoxy-2-methoxy-4-methylbenzene;1-ethyl-2,4-dimethylbenzene;1-ethyl-2-methoxy-4-methylbenzene;2-fluoro-1-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;2-methoxy-1,3,5-trimethylbenzene;8-methyl-3,4-dihydro-2H-chromene;1-methyl-2-propan-2-yloxybenzene;1-methyl-4-propan-2-yloxybenzene;2-methyl-6-propan-2-ylphenol;1-methyl-4-propan-2-ylsulfinylbenzene;1-methyl-4-propoxybenzene;5-methylquinoxaline.
What is the SMILES notation for 4-(3-chloro-4-methylphenyl)-1,2,4-triazole;2-chloro-1-methyl-4-propan-2-yloxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2,4-dimethyl-1H-benzimidazole;2,7-dimethyl-1,3-benzoxazole;1,4-dimethylindazole;1,7-dimethylindazole;1-ethoxy-2-methoxy-4-methylbenzene;1-ethyl-2,4-dimethylbenzene;1-ethyl-2-methoxy-4-methylbenzene;2-fluoro-1-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;2-methoxy-1,3,5-trimethylbenzene;8-methyl-3,4-dihydro-2H-chromene;1-methyl-2-propan-2-yloxybenzene;1-methyl-4-propan-2-yloxybenzene;2-methyl-6-propan-2-ylphenol;1-methyl-4-propan-2-ylsulfinylbenzene;1-methyl-4-propoxybenzene;5-methylquinoxaline?
The canonical SMILES for 4-(3-chloro-4-methylphenyl)-1,2,4-triazole;2-chloro-1-methyl-4-propan-2-yloxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2,4-dimethyl-1H-benzimidazole;2,7-dimethyl-1,3-benzoxazole;1,4-dimethylindazole;1,7-dimethylindazole;1-ethoxy-2-methoxy-4-methylbenzene;1-ethyl-2,4-dimethylbenzene;1-ethyl-2-methoxy-4-methylbenzene;2-fluoro-1-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;2-methoxy-1,3,5-trimethylbenzene;8-methyl-3,4-dihydro-2H-chromene;1-methyl-2-propan-2-yloxybenzene;1-methyl-4-propan-2-yloxybenzene;2-methyl-6-propan-2-ylphenol;1-methyl-4-propan-2-ylsulfinylbenzene;1-methyl-4-propoxybenzene;5-methylquinoxaline is CCCOc1ccc(C)cc1.CCOc1ccc(C)cc1OC.CCc1ccc(C)cc1C.CCc1ccc(C)cc1OC.COc1c(C)cc(C)cc1C.Cc1ccc(-n2cnnc2)cc1Cl.Cc1ccc(OC(C)C)c(Cl)c1.Cc1ccc(OC(C)C)c(F)c1.Cc1ccc(OC(C)C)cc1.Cc1ccc(OC(C)C)cc1Cl.Cc1ccc(OC(C)C)cc1F.Cc1ccc(S(=O)C(C)C)cc1.Cc1cccc(C(C)C)c1O.Cc1cccc2c1OCCC2.Cc1cccc2c1cnn2C.Cc1cccc2cnn(C)c12.Cc1cccc2nccnc12.Cc1ccccc1OC(C)C.Cc1nc2c(C)cccc2[nH]1.Cc1nc2cccc(C)c2o1.
What is the InChIKey of 4-(3-chloro-4-methylphenyl)-1,2,4-triazole;2-chloro-1-methyl-4-propan-2-yloxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2,4-dimethyl-1H-benzimidazole;2,7-dimethyl-1,3-benzoxazole;1,4-dimethylindazole;1,7-dimethylindazole;1-ethoxy-2-methoxy-4-methylbenzene;1-ethyl-2,4-dimethylbenzene;1-ethyl-2-methoxy-4-methylbenzene;2-fluoro-1-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;2-methoxy-1,3,5-trimethylbenzene;8-methyl-3,4-dihydro-2H-chromene;1-methyl-2-propan-2-yloxybenzene;1-methyl-4-propan-2-yloxybenzene;2-methyl-6-propan-2-ylphenol;1-methyl-4-propan-2-ylsulfinylbenzene;1-methyl-4-propoxybenzene;5-methylquinoxaline?
The InChIKey is GAOPCYMBTASFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H13ClO.2C10H13FO.C10H14O2.C10H14OS.C10H12O.6C10H14O.C10H14.C9H8ClN3.3C9H10N2.C9H8N2.C9H9NO/c1-7(2)12-9-5-4-8(3)10(11)6-9;1-7(2)12-10-5-4-8(3)6-9(10)11;1-7(2)12-9-5-4-8(3)10(11)6-9;1-7(2)12-10-5-4-8(3)6-9(10)11;1-4-12-9-6-5-8(2)7-10(9)11-3;1-8(2)12(11)10-6-4-9(3)5-7-10;1-8-4-2-5-9-6-3-7-11-10(8)9;1-7-5-8(2)10(11-4)9(3)6-7;1-8(2)11-10-6-4-9(3)5-7-10;1-8(2)11-10-7-5-4-6-9(10)3;1-7(2)9-6-4-5-8(3)10(9)11;1-4-9-6-5-8(2)7-10(9)11-3;1-3-8-11-10-6-4-9(2)5-7-10;1-4-10-6-5-8(2)7-9(10)3;1-7-2-3-8(4-9(7)10)13-5-11-12-6-13;1-7-4-3-5-9-8(7)6-10-11(9)2;1-7-4-3-5-8-6-10-11(2)9(7)8;1-6-4-3-5-8-9(6)11-7(2)10-8;1-7-3-2-4-8-9(7)11-6-5-10-8;1-6-4-3-5-8-9(6)11-7(2)10-8/h4*4-7H,1-3H3;5-7H,4H2,1-3H3;4-8H,1-3H3;2,4-5H,3,6-7H2,1H3;5-6H,1-4H3;2*4-8H,1-3H3;4-7,11H,1-3H3;5-7H,4H2,1-3H3;4-7H,3,8H2,1-2H3;5-7H,4H2,1-3H3;2-6H,1H3;2*3-6H,1-2H3;3-5H,1-2H3,(H,10,11);2-6H,1H3;3-5H,1-2H3.
What are the key properties of 4-(3-chloro-4-methylphenyl)-1,2,4-triazole;2-chloro-1-methyl-4-propan-2-yloxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2,4-dimethyl-1H-benzimidazole;2,7-dimethyl-1,3-benzoxazole;1,4-dimethylindazole;1,7-dimethylindazole;1-ethoxy-2-methoxy-4-methylbenzene;1-ethyl-2,4-dimethylbenzene;1-ethyl-2-methoxy-4-methylbenzene;2-fluoro-1-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;2-methoxy-1,3,5-trimethylbenzene;8-methyl-3,4-dihydro-2H-chromene;1-methyl-2-propan-2-yloxybenzene;1-methyl-4-propan-2-yloxybenzene;2-methyl-6-propan-2-ylphenol;1-methyl-4-propan-2-ylsulfinylbenzene;1-methyl-4-propoxybenzene;5-methylquinoxaline?
4-(3-chloro-4-methylphenyl)-1,2,4-triazole;2-chloro-1-methyl-4-propan-2-yloxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2,4-dimethyl-1H-benzimidazole;2,7-dimethyl-1,3-benzoxazole;1,4-dimethylindazole;1,7-dimethylindazole;1-ethoxy-2-methoxy-4-methylbenzene;1-ethyl-2,4-dimethylbenzene;1-ethyl-2-methoxy-4-methylbenzene;2-fluoro-1-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;2-methoxy-1,3,5-trimethylbenzene;8-methyl-3,4-dihydro-2H-chromene;1-methyl-2-propan-2-yloxybenzene;1-methyl-4-propan-2-yloxybenzene;2-methyl-6-propan-2-ylphenol;1-methyl-4-propan-2-ylsulfinylbenzene;1-methyl-4-propoxybenzene;5-methylquinoxaline has a molecular weight of 3161.58 g/mol, XLogP of 51.73, 26 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methylphenyl)-1,2,4-triazole;2-chloro-1-methyl-4-propan-2-yloxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2,4-dimethyl-1H-benzimidazole;2,7-dimethyl-1,3-benzoxazole;1,4-dimethylindazole;1,7-dimethylindazole;1-ethoxy-2-methoxy-4-methylbenzene;1-ethyl-2,4-dimethylbenzene;1-ethyl-2-methoxy-4-methylbenzene;2-fluoro-1-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;2-methoxy-1,3,5-trimethylbenzene;8-methyl-3,4-dihydro-2H-chromene;1-methyl-2-propan-2-yloxybenzene;1-methyl-4-propan-2-yloxybenzene;2-methyl-6-propan-2-ylphenol;1-methyl-4-propan-2-ylsulfinylbenzene;1-methyl-4-propoxybenzene;5-methylquinoxaline is sourced from PubChem (CID 158197993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).