1-benzyl-4-methylpyrazole;tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-3-methoxy-5-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;1,3-difluoro-2-methoxy-5-methylbenzene;1,3-dimethoxy-5-methylbenzene;1-fluoro-2-methoxy-4-methylbenzene;1-fluoro-3-methoxy-5-methylbenzene;4-fluoro-2-methoxy-1-methylbenzene;1-methoxy-4-methylbenzene;N-(4-methylphenyl)acetamide;1-(4-methylphenyl)ethanone;1-methyl-4-phenylmethoxybenzene;1-methyl-4-propan-2-yloxybenzene;1-methyl-4-(trifluoromethoxy)benzene

C145H169Cl3F8N4O17S — CID 158749722

IUPAC1-benzyl-4-methylpyrazole;tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-3-methoxy-5-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;1,3-difluoro-2-methoxy-5-methylbenzene;1,3-dimethoxy-5-methylbenzene;1-fluoro-2-methoxy-4-methylbenzene;1-fluoro-3-methoxy-5-methylbenzene;4-fluoro-2-methoxy-1-methylbenzene;1-methoxy-4-methylbenzene;N-(4-methylphenyl)acetamide;1-(4-methylphenyl)ethanone;1-methyl-4-phenylmethoxybenzene;1-methyl-4-propan-2-yloxybenzene;1-methyl-4-(trifluoromethoxy)benzene
SMILESCC(=O)Nc1ccc(C)cc1.CC(=O)c1ccc(C)cc1.COc1c(F)cc(C)cc1F.COc1cc(C)cc(Cl)c1.COc1cc(C)cc(F)c1.COc1cc(C)cc(OC)c1.COc1cc(C)ccc1Cl.COc1cc(C)ccc1F.COc1cc(F)ccc1C.COc1ccc(C)cc1.COc1ccc(Cl)c(C)c1.Cc1ccc(CNC(=O)OC(C)(C)C)s1.Cc1ccc(OC(C)C)cc1.Cc1ccc(OC(F)(F)F)cc1.Cc1ccc(OCc2ccccc2)cc1.Cc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C14H14O.C11H12N2.C11H17NO2S.C10H14O.C9H11NO.C9H12O2.C9H10O.3C8H9ClO.C8H7F3O.C8H8F2O.3C8H9FO.C8H10O/c1-12-7-9-14(10-8-12)15-11-13-5-3-2-4-6-13;1-10-7-12-13(8-10)9-11-5-3-2-4-6-11;1-8-5-6-9(15-8)7-12-10(13)14-11(2,3)4;1-8(2)11-10-6-4-9(3)5-7-10;1-7-3-5-9(6-4-7)10-8(2)11;1-7-4-8(10-2)6-9(5-7)11-3;1-7-3-5-9(6-4-7)8(2)10;1-6-3-7(9)5-8(4-6)10-2;1-6-5-7(10-2)3-4-8(6)9;1-6-3-4-7(9)8(5-6)10-2;1-6-2-4-7(5-3-6)12-8(9,10)11;1-5-3-6(9)8(11-2)7(10)4-5;1-6-3-7(9)5-8(4-6)10-2;1-6-3-4-7(9)5-8(6)10-2;1-6-3-4-7(9)8(5-6)10-2;1-7-3-5-8(9-2)6-4-7/h2-10H,11H2,1H3;2-8H,9H2,1H3;5-6H,7H2,1-4H3,(H,12,13);4-8H,1-3H3;3-6H,1-2H3,(H,10,11);4-6H,1-3H3;3-6H,1-2H3;3*3-5H,1-2H3;2-5H,1H3;3-4H,1-2H3;3*3-5H,1-2H3;3-6H,1-2H3
InChIKeyINIAMCWAWQUYTB-UHFFFAOYSA-N
MW2530.37 g/mol
LogP39.42
Rot. Bonds22

About 1-benzyl-4-methylpyrazole;tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-3-methoxy-5-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;1,3-difluoro-2-methoxy-5-methylbenzene;1,3-dimethoxy-5-methylbenzene;1-fluoro-2-methoxy-4-methylbenzene;1-fluoro-3-methoxy-5-methylbenzene;4-fluoro-2-methoxy-1-methylbenzene;1-methoxy-4-methylbenzene;N-(4-methylphenyl)acetamide;1-(4-methylphenyl)ethanone;1-methyl-4-phenylmethoxybenzene;1-methyl-4-propan-2-yloxybenzene;1-methyl-4-(trifluoromethoxy)benzene

1-benzyl-4-methylpyrazole;tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-3-methoxy-5-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;1,3-difluoro-2-methoxy-5-methylbenzene;1,3-dimethoxy-5-methylbenzene;1-fluoro-2-methoxy-4-methylbenzene;1-fluoro-3-methoxy-5-methylbenzene;4-fluoro-2-methoxy-1-methylbenzene;1-methoxy-4-methylbenzene;N-(4-methylphenyl)acetamide;1-(4-methylphenyl)ethanone;1-methyl-4-phenylmethoxybenzene;1-methyl-4-propan-2-yloxybenzene;1-methyl-4-(trifluoromethoxy)benzene (PubChem CID 158749722) has the molecular formula C145H169Cl3F8N4O17S and a molecular weight of 2530.37 g/mol. Its IUPAC name is 1-benzyl-4-methylpyrazole;tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-3-methoxy-5-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;1,3-difluoro-2-methoxy-5-methylbenzene;1,3-dimethoxy-5-methylbenzene;1-fluoro-2-methoxy-4-methylbenzene;1-fluoro-3-methoxy-5-methylbenzene;4-fluoro-2-methoxy-1-methylbenzene;1-methoxy-4-methylbenzene;N-(4-methylphenyl)acetamide;1-(4-methylphenyl)ethanone;1-methyl-4-phenylmethoxybenzene;1-methyl-4-propan-2-yloxybenzene;1-methyl-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-benzyl-4-methylpyrazole;tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-3-methoxy-5-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;1,3-difluoro-2-methoxy-5-methylbenzene;1,3-dimethoxy-5-methylbenzene;1-fluoro-2-methoxy-4-methylbenzene;1-fluoro-3-methoxy-5-methylbenzene;4-fluoro-2-methoxy-1-methylbenzene;1-methoxy-4-methylbenzene;N-(4-methylphenyl)acetamide;1-(4-methylphenyl)ethanone;1-methyl-4-phenylmethoxybenzene;1-methyl-4-propan-2-yloxybenzene;1-methyl-4-(trifluoromethoxy)benzene
PubChem CID158749722
Molecular FormulaC145H169Cl3F8N4O17S
Molecular Weight2530.37 g/mol
Exact Mass2527.11
IUPAC Name1-benzyl-4-methylpyrazole;tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-3-methoxy-5-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;1,3-difluoro-2-methoxy-5-methylbenzene;1,3-dimethoxy-5-methylbenzene;1-fluoro-2-methoxy-4-methylbenzene;1-fluoro-3-methoxy-5-methylbenzene;4-fluoro-2-methoxy-1-methylbenzene;1-methoxy-4-methylbenzene;N-(4-methylphenyl)acetamide;1-(4-methylphenyl)ethanone;1-methyl-4-phenylmethoxybenzene;1-methyl-4-propan-2-yloxybenzene;1-methyl-4-(trifluoromethoxy)benzene
SMILESCC(=O)Nc1ccc(C)cc1.CC(=O)c1ccc(C)cc1.COc1c(F)cc(C)cc1F.COc1cc(C)cc(Cl)c1.COc1cc(C)cc(F)c1.COc1cc(C)cc(OC)c1.COc1cc(C)ccc1Cl.COc1cc(C)ccc1F.COc1cc(F)ccc1C.COc1ccc(C)cc1.COc1ccc(Cl)c(C)c1.Cc1ccc(CNC(=O)OC(C)(C)C)s1.Cc1ccc(OC(C)C)cc1.Cc1ccc(OC(F)(F)F)cc1.Cc1ccc(OCc2ccccc2)cc1.Cc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C14H14O.C11H12N2.C11H17NO2S.C10H14O.C9H11NO.C9H12O2.C9H10O.3C8H9ClO.C8H7F3O.C8H8F2O.3C8H9FO.C8H10O/c1-12-7-9-14(10-8-12)15-11-13-5-3-2-4-6-13;1-10-7-12-13(8-10)9-11-5-3-2-4-6-11;1-8-5-6-9(15-8)7-12-10(13)14-11(2,3)4;1-8(2)11-10-6-4-9(3)5-7-10;1-7-3-5-9(6-4-7)10-8(2)11;1-7-4-8(10-2)6-9(5-7)11-3;1-7-3-5-9(6-4-7)8(2)10;1-6-3-7(9)5-8(4-6)10-2;1-6-5-7(10-2)3-4-8(6)9;1-6-3-4-7(9)8(5-6)10-2;1-6-2-4-7(5-3-6)12-8(9,10)11;1-5-3-6(9)8(11-2)7(10)4-5;1-6-3-7(9)5-8(4-6)10-2;1-6-3-4-7(9)5-8(6)10-2;1-6-3-4-7(9)8(5-6)10-2;1-7-3-5-8(9-2)6-4-7/h2-10H,11H2,1H3;2-8H,9H2,1H3;5-6H,7H2,1-4H3,(H,12,13);4-8H,1-3H3;3-6H,1-2H3,(H,10,11);4-6H,1-3H3;3-6H,1-2H3;3*3-5H,1-2H3;2-5H,1H3;3-4H,1-2H3;3*3-5H,1-2H3;3-6H,1-2H3
InChIKeyINIAMCWAWQUYTB-UHFFFAOYSA-N
XLogP39.42
TPSA222.31 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds22
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002530.37
LogP ≤ 539.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Analyze 1-benzyl-4-methylpyrazole;tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-3-methoxy-5-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;1,3-difluoro-2-methoxy-5-methylbenzene;1,3-dimethoxy-5-methylbenzene;1-fluoro-2-methoxy-4-methylbenzene;1-fluoro-3-methoxy-5-methylbenzene;4-fluoro-2-methoxy-1-methylbenzene;1-methoxy-4-methylbenzene;N-(4-methylphenyl)acetamide;1-(4-methylphenyl)ethanone;1-methyl-4-phenylmethoxybenzene;1-methyl-4-propan-2-yloxybenzene;1-methyl-4-(trifluoromethoxy)benzene with MolForge

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Related Compounds

1-benzyl-4-methylpyrazole;tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;2-chloro-4-methyl-1-phenylmethoxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;1,3-difluoro-2-methoxy-5-methylbenzene;1,3-dimethoxy-5-methylbenzene;4-fluoro-2-methoxy-1-methylbenzene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;N-(4-methylphenyl)acetamide;1-(4-methylphenyl)ethanone;1-methyl-4-phenylmethoxybenzene;1-methyl-4-propan-2-yloxybenzene;1-methyl-4-(trifluoromethoxy)benzene;N,N,3-trimethylaniline;N,N,4-trimethylaniline;3,4,5-trimethyl-1,2-oxazole
CID 157080791
1-benzyl-4-methylpyrazole;tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;2-chloro-1-methoxy-4-methylbenzene;2-chloro-4-methyl-1-phenylmethoxybenzene;1,3-difluoro-2-methoxy-5-methylbenzene;dihydroxy-methyl-(4-methylphenyl)-lambda4-sulfane;1,3-dimethoxy-5-methylbenzene;1-ethoxy-3-methylbenzene;4-methyldibenzofuran;2-methylfuran;1-methyl-4-phenoxybenzene;N-(4-methylphenyl)acetamide;1-(4-methylphenyl)ethanone;1-methyl-4-phenylmethoxybenzene;1-methyl-3-propan-2-yloxybenzene;1-methyl-4-propan-2-yloxybenzene;1-methyl-3-propoxybenzene;1-methyl-4-(trifluoromethoxy)benzene;N,N,4-trimethylaniline
CID 157446750
1-benzyl-4-methylpyrazole;tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;2-chloro-4-methyl-1-phenylmethoxybenzene;1,3-difluoro-2-methoxy-5-methylbenzene;1,3-dimethoxy-5-methylbenzene;4-methyldibenzofuran;2-methylfuran;1-methyl-4-methylsulfonylbenzene;1-methyl-4-phenoxybenzene;N-(4-methylphenyl)acetamide;1-(4-methylphenyl)ethanone;1-methyl-4-phenylmethoxybenzene;1-methyl-3-propan-2-yloxybenzene;1-methyl-4-propan-2-yloxybenzene;1-methyl-4-(trifluoromethoxy)benzene;N,N,4-trimethylaniline
CID 157811144
1-benzyl-4-methylpyrazole;tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-3-methoxy-5-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;1,3-difluoro-2-methoxy-5-methylbenzene;1,3-dimethoxy-5-methylbenzene;1-fluoro-2-methoxy-4-methylbenzene;1-fluoro-3-methoxy-5-methylbenzene;4-fluoro-2-methoxy-1-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;N-(4-methylphenyl)acetamide;1-(4-methylphenyl)ethanone;1-methyl-4-phenylmethoxybenzene;1-methyl-4-propan-2-yloxybenzene;1-methyl-4-(trifluoromethoxy)benzene
CID 158294199
tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-3-methoxy-5-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;1,3-difluoro-2-methoxy-5-methylbenzene;2,6-difluoro-4-methylphenol;1,3-dimethoxy-5-methylbenzene;3-ethyl-6-methyl-2H-indazole;1-fluoro-2-methoxy-4-methylbenzene;1-fluoro-3-methoxy-5-methylbenzene;4-fluoro-2-methoxy-1-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;5-methyl-1H-indole;N-(4-methylphenyl)acetamide;1-(4-methylphenyl)ethanone;1-methyl-4-propan-2-yloxybenzene;1-methyl-4-(trifluoromethoxy)benzene
CID 159174806
1-benzyl-4-methylpyrazole;tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;2-chloro-1-methoxy-4-methylbenzene;2-chloro-4-methyl-1-phenylmethoxybenzene;1-(cyclohexa-1,5-dien-1-ylmethoxy)-4-methylbenzene;1,3-difluoro-2-methoxy-5-methylbenzene;1,3-dimethoxy-5-methylbenzene;1-ethoxy-3-methylbenzene;4-methyldibenzofuran;2-methylfuran;1-methyl-4-methylsulfonylbenzene;1-methyl-4-phenoxybenzene;N-(4-methylphenyl)acetamide;1-(4-methylphenyl)ethanone;1-methyl-3-propan-2-yloxybenzene;1-methyl-4-propan-2-yloxybenzene;1-methyl-3-propoxybenzene;1-methyl-4-(trifluoromethoxy)benzene;N,N,4-trimethylaniline
CID 159583185
1-benzyl-4-methylpyrazole;tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;2-chloro-1-methoxy-4-methylbenzene;2-chloro-4-methyl-1-phenylmethoxybenzene;1-(cyclohexa-1,5-dien-1-ylmethoxy)-4-methylbenzene;1,3-difluoro-2-methoxy-5-methylbenzene;dihydroxy-methyl-(4-methylphenyl)-lambda4-sulfane;1,3-dimethoxy-5-methylbenzene;1-ethoxy-3-methylbenzene;4-methyldibenzofuran;2-methylfuran;1-methyl-4-phenoxybenzene;N-(4-methylphenyl)acetamide;1-(4-methylphenyl)ethanone;1-methyl-3-propan-2-yloxybenzene;1-methyl-4-propan-2-yloxybenzene;1-methyl-3-propoxybenzene;1-methyl-4-(trifluoromethoxy)benzene;N,N,4-trimethylaniline
CID 160625166
1-benzyl-4-methylpyrazole;tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;2-chloro-1-methoxy-4-methylbenzene;2-chloro-4-methyl-1-phenylmethoxybenzene;1,3-difluoro-2-methoxy-5-methylbenzene;1,3-dimethoxy-5-methylbenzene;1-ethoxy-3-methylbenzene;4-methyldibenzofuran;2-methylfuran;1-methyl-4-methylsulfonylbenzene;1-methyl-4-phenoxybenzene;N-(4-methylphenyl)acetamide;1-(4-methylphenyl)ethanone;1-methyl-4-phenylmethoxybenzene;1-methyl-3-propan-2-yloxybenzene;1-methyl-4-propan-2-yloxybenzene;1-methyl-3-propoxybenzene;1-methyl-4-(trifluoromethoxy)benzene;N,N,4-trimethylaniline
CID 160927747

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-methylpyrazole;tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-3-methoxy-5-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;1,3-difluoro-2-methoxy-5-methylbenzene;1,3-dimethoxy-5-methylbenzene;1-fluoro-2-methoxy-4-methylbenzene;1-fluoro-3-methoxy-5-methylbenzene;4-fluoro-2-methoxy-1-methylbenzene;1-methoxy-4-methylbenzene;N-(4-methylphenyl)acetamide;1-(4-methylphenyl)ethanone;1-methyl-4-phenylmethoxybenzene;1-methyl-4-propan-2-yloxybenzene;1-methyl-4-(trifluoromethoxy)benzene?
The IUPAC name of 1-benzyl-4-methylpyrazole;tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-3-methoxy-5-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;1,3-difluoro-2-methoxy-5-methylbenzene;1,3-dimethoxy-5-methylbenzene;1-fluoro-2-methoxy-4-methylbenzene;1-fluoro-3-methoxy-5-methylbenzene;4-fluoro-2-methoxy-1-methylbenzene;1-methoxy-4-methylbenzene;N-(4-methylphenyl)acetamide;1-(4-methylphenyl)ethanone;1-methyl-4-phenylmethoxybenzene;1-methyl-4-propan-2-yloxybenzene;1-methyl-4-(trifluoromethoxy)benzene (CID 158749722) is 1-benzyl-4-methylpyrazole;tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-3-methoxy-5-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;1,3-difluoro-2-methoxy-5-methylbenzene;1,3-dimethoxy-5-methylbenzene;1-fluoro-2-methoxy-4-methylbenzene;1-fluoro-3-methoxy-5-methylbenzene;4-fluoro-2-methoxy-1-methylbenzene;1-methoxy-4-methylbenzene;N-(4-methylphenyl)acetamide;1-(4-methylphenyl)ethanone;1-methyl-4-phenylmethoxybenzene;1-methyl-4-propan-2-yloxybenzene;1-methyl-4-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-benzyl-4-methylpyrazole;tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-3-methoxy-5-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;1,3-difluoro-2-methoxy-5-methylbenzene;1,3-dimethoxy-5-methylbenzene;1-fluoro-2-methoxy-4-methylbenzene;1-fluoro-3-methoxy-5-methylbenzene;4-fluoro-2-methoxy-1-methylbenzene;1-methoxy-4-methylbenzene;N-(4-methylphenyl)acetamide;1-(4-methylphenyl)ethanone;1-methyl-4-phenylmethoxybenzene;1-methyl-4-propan-2-yloxybenzene;1-methyl-4-(trifluoromethoxy)benzene?
The canonical SMILES for 1-benzyl-4-methylpyrazole;tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-3-methoxy-5-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;1,3-difluoro-2-methoxy-5-methylbenzene;1,3-dimethoxy-5-methylbenzene;1-fluoro-2-methoxy-4-methylbenzene;1-fluoro-3-methoxy-5-methylbenzene;4-fluoro-2-methoxy-1-methylbenzene;1-methoxy-4-methylbenzene;N-(4-methylphenyl)acetamide;1-(4-methylphenyl)ethanone;1-methyl-4-phenylmethoxybenzene;1-methyl-4-propan-2-yloxybenzene;1-methyl-4-(trifluoromethoxy)benzene is CC(=O)Nc1ccc(C)cc1.CC(=O)c1ccc(C)cc1.COc1c(F)cc(C)cc1F.COc1cc(C)cc(Cl)c1.COc1cc(C)cc(F)c1.COc1cc(C)cc(OC)c1.COc1cc(C)ccc1Cl.COc1cc(C)ccc1F.COc1cc(F)ccc1C.COc1ccc(C)cc1.COc1ccc(Cl)c(C)c1.Cc1ccc(CNC(=O)OC(C)(C)C)s1.Cc1ccc(OC(C)C)cc1.Cc1ccc(OC(F)(F)F)cc1.Cc1ccc(OCc2ccccc2)cc1.Cc1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-4-methylpyrazole;tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-3-methoxy-5-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;1,3-difluoro-2-methoxy-5-methylbenzene;1,3-dimethoxy-5-methylbenzene;1-fluoro-2-methoxy-4-methylbenzene;1-fluoro-3-methoxy-5-methylbenzene;4-fluoro-2-methoxy-1-methylbenzene;1-methoxy-4-methylbenzene;N-(4-methylphenyl)acetamide;1-(4-methylphenyl)ethanone;1-methyl-4-phenylmethoxybenzene;1-methyl-4-propan-2-yloxybenzene;1-methyl-4-(trifluoromethoxy)benzene?
The InChIKey is INIAMCWAWQUYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O.C11H12N2.C11H17NO2S.C10H14O.C9H11NO.C9H12O2.C9H10O.3C8H9ClO.C8H7F3O.C8H8F2O.3C8H9FO.C8H10O/c1-12-7-9-14(10-8-12)15-11-13-5-3-2-4-6-13;1-10-7-12-13(8-10)9-11-5-3-2-4-6-11;1-8-5-6-9(15-8)7-12-10(13)14-11(2,3)4;1-8(2)11-10-6-4-9(3)5-7-10;1-7-3-5-9(6-4-7)10-8(2)11;1-7-4-8(10-2)6-9(5-7)11-3;1-7-3-5-9(6-4-7)8(2)10;1-6-3-7(9)5-8(4-6)10-2;1-6-5-7(10-2)3-4-8(6)9;1-6-3-4-7(9)8(5-6)10-2;1-6-2-4-7(5-3-6)12-8(9,10)11;1-5-3-6(9)8(11-2)7(10)4-5;1-6-3-7(9)5-8(4-6)10-2;1-6-3-4-7(9)5-8(6)10-2;1-6-3-4-7(9)8(5-6)10-2;1-7-3-5-8(9-2)6-4-7/h2-10H,11H2,1H3;2-8H,9H2,1H3;5-6H,7H2,1-4H3,(H,12,13);4-8H,1-3H3;3-6H,1-2H3,(H,10,11);4-6H,1-3H3;3-6H,1-2H3;3*3-5H,1-2H3;2-5H,1H3;3-4H,1-2H3;3*3-5H,1-2H3;3-6H,1-2H3.
What are the key properties of 1-benzyl-4-methylpyrazole;tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-3-methoxy-5-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;1,3-difluoro-2-methoxy-5-methylbenzene;1,3-dimethoxy-5-methylbenzene;1-fluoro-2-methoxy-4-methylbenzene;1-fluoro-3-methoxy-5-methylbenzene;4-fluoro-2-methoxy-1-methylbenzene;1-methoxy-4-methylbenzene;N-(4-methylphenyl)acetamide;1-(4-methylphenyl)ethanone;1-methyl-4-phenylmethoxybenzene;1-methyl-4-propan-2-yloxybenzene;1-methyl-4-(trifluoromethoxy)benzene?
1-benzyl-4-methylpyrazole;tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-3-methoxy-5-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;1,3-difluoro-2-methoxy-5-methylbenzene;1,3-dimethoxy-5-methylbenzene;1-fluoro-2-methoxy-4-methylbenzene;1-fluoro-3-methoxy-5-methylbenzene;4-fluoro-2-methoxy-1-methylbenzene;1-methoxy-4-methylbenzene;N-(4-methylphenyl)acetamide;1-(4-methylphenyl)ethanone;1-methyl-4-phenylmethoxybenzene;1-methyl-4-propan-2-yloxybenzene;1-methyl-4-(trifluoromethoxy)benzene has a molecular weight of 2530.37 g/mol, XLogP of 39.42, 22 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-methylpyrazole;tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-3-methoxy-5-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;1,3-difluoro-2-methoxy-5-methylbenzene;1,3-dimethoxy-5-methylbenzene;1-fluoro-2-methoxy-4-methylbenzene;1-fluoro-3-methoxy-5-methylbenzene;4-fluoro-2-methoxy-1-methylbenzene;1-methoxy-4-methylbenzene;N-(4-methylphenyl)acetamide;1-(4-methylphenyl)ethanone;1-methyl-4-phenylmethoxybenzene;1-methyl-4-propan-2-yloxybenzene;1-methyl-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 158749722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).