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

C210H262Cl3F2N17O16S2 — CID 158228412

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;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
SMILESCCCOc1ccc(C)cc1.CCNS(=O)(=O)c1ccc(C)cc1.CCc1ccc(C)cc1C.CCc1ccc(C)cc1OC.COc1c(C)cc(C)cc1C.Cc1ccc(-n2cnnc2)cc1Cl.Cc1ccc(C#N)c(C)c1.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)(=O)N(C)C)cc1.Cc1cccc(C(C)C)c1O.Cc1cccc2c1OCCC2.Cc1cccc2c1cnn2C.Cc1cccc2cnn(C)c12.Cc1cccc2nccnc12.Cc1cccc2ncn(C)c12.Cc1ccccc1OC(C)C.Cc1nc2c(C)cccc2[nH]1.Cc1nc2cccc(C)c2o1
InChIInChI=1S/2C10H13ClO.2C10H13FO.C10H12O.6C10H14O.C10H14.C9H8ClN3.4C9H10N2.C9H8N2.2C9H13NO2S.C9H9NO.C9H9N/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;1-8-4-2-5-9-6-3-7-11-10(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;1-7-4-3-5-8-9(7)11(2)6-10-8;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;1-8-4-6-9(7-5-8)13(11,12)10(2)3;1-3-10-13(11,12)9-6-4-8(2)5-7-9;1-6-4-3-5-8-9(6)11-7(2)10-8;1-7-3-4-9(6-10)8(2)5-7/h4*4-7H,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;3*3-6H,1-2H3;3-5H,1-2H3,(H,10,11);2-6H,1H3;4-7H,1-3H3;4-7,10H,3H2,1-2H3;3-5H,1-2H3;3-5H,1-2H3
InChIKeyGEBUXUJJCJEHHP-UHFFFAOYSA-N
MW3489.00 g/mol
LogP53.41
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;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

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 (PubChem CID 158228412) has the molecular formula C210H262Cl3F2N17O16S2 and a molecular weight of 3489.00 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;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.

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;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
PubChem CID158228412
Molecular FormulaC210H262Cl3F2N17O16S2
Molecular Weight3489.00 g/mol
Exact Mass3484.87
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;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
SMILESCCCOc1ccc(C)cc1.CCNS(=O)(=O)c1ccc(C)cc1.CCc1ccc(C)cc1C.CCc1ccc(C)cc1OC.COc1c(C)cc(C)cc1C.Cc1ccc(-n2cnnc2)cc1Cl.Cc1ccc(C#N)c(C)c1.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)(=O)N(C)C)cc1.Cc1cccc(C(C)C)c1O.Cc1cccc2c1OCCC2.Cc1cccc2c1cnn2C.Cc1cccc2cnn(C)c12.Cc1cccc2nccnc12.Cc1cccc2ncn(C)c12.Cc1ccccc1OC(C)C.Cc1nc2c(C)cccc2[nH]1.Cc1nc2cccc(C)c2o1
InChIInChI=1S/2C10H13ClO.2C10H13FO.C10H12O.6C10H14O.C10H14.C9H8ClN3.4C9H10N2.C9H8N2.2C9H13NO2S.C9H9NO.C9H9N/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;1-8-4-2-5-9-6-3-7-11-10(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;1-7-4-3-5-8-9(7)11(2)6-10-8;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;1-8-4-6-9(7-5-8)13(11,12)10(2)3;1-3-10-13(11,12)9-6-4-8(2)5-7-9;1-6-4-3-5-8-9(6)11-7(2)10-8;1-7-3-4-9(6-10)8(2)5-7/h4*4-7H,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;3*3-6H,1-2H3;3-5H,1-2H3,(H,10,11);2-6H,1H3;4-7H,1-3H3;4-7,10H,3H2,1-2H3;3-5H,1-2H3;3-5H,1-2H3
InChIKeyGEBUXUJJCJEHHP-UHFFFAOYSA-N
XLogP53.41
TPSA384.53 Ų
H-Bond Donors3
H-Bond Acceptors30
Rotatable Bonds26
Heavy Atoms250
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003489.00
LogP ≤ 553.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1030

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;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 with MolForge

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Related Compounds

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
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

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;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?
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;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) 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;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.
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;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?
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;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 is CCCOc1ccc(C)cc1.CCNS(=O)(=O)c1ccc(C)cc1.CCc1ccc(C)cc1C.CCc1ccc(C)cc1OC.COc1c(C)cc(C)cc1C.Cc1ccc(-n2cnnc2)cc1Cl.Cc1ccc(C#N)c(C)c1.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)(=O)N(C)C)cc1.Cc1cccc(C(C)C)c1O.Cc1cccc2c1OCCC2.Cc1cccc2c1cnn2C.Cc1cccc2cnn(C)c12.Cc1cccc2nccnc12.Cc1cccc2ncn(C)c12.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;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?
The InChIKey is GEBUXUJJCJEHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H13ClO.2C10H13FO.C10H12O.6C10H14O.C10H14.C9H8ClN3.4C9H10N2.C9H8N2.2C9H13NO2S.C9H9NO.C9H9N/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;1-8-4-2-5-9-6-3-7-11-10(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;1-7-4-3-5-8-9(7)11(2)6-10-8;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;1-8-4-6-9(7-5-8)13(11,12)10(2)3;1-3-10-13(11,12)9-6-4-8(2)5-7-9;1-6-4-3-5-8-9(6)11-7(2)10-8;1-7-3-4-9(6-10)8(2)5-7/h4*4-7H,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;3*3-6H,1-2H3;3-5H,1-2H3,(H,10,11);2-6H,1H3;4-7H,1-3H3;4-7,10H,3H2,1-2H3;3-5H,1-2H3;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;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?
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 has a molecular weight of 3489.00 g/mol, XLogP of 53.41, 26 rotatable bonds, 3 hydrogen bond donors, and 30 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;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 is sourced from PubChem (CID 158228412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).