2-tert-butyl-1-benzofuran;1-tert-butyl-3-chlorobenzene;1-tert-butyl-2,3-dichlorobenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;1-tert-butyl-4-ethylbenzene;2-tert-butyl-4-fluoro-1-methoxybenzene;1-tert-butyl-4-fluoro-2-methylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;N-(3-tert-butylphenyl)methanesulfonamide;N-[(4-tert-butylphenyl)methyl]acetamide;1-tert-butyl-2-propan-2-yloxybenzene;3-tert-butylpyridine;8-tert-butylquinoline;5-tert-butyl-1,2,3-trimethoxybenzene

C252H358Cl3F3N6O13S — CID 157336659

IUPAC2-tert-butyl-1-benzofuran;1-tert-butyl-3-chlorobenzene;1-tert-butyl-2,3-dichlorobenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;1-tert-butyl-4-ethylbenzene;2-tert-butyl-4-fluoro-1-methoxybenzene;1-tert-butyl-4-fluoro-2-methylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;N-(3-tert-butylphenyl)methanesulfonamide;N-[(4-tert-butylphenyl)methyl]acetamide;1-tert-butyl-2-propan-2-yloxybenzene;3-tert-butylpyridine;8-tert-butylquinoline;5-tert-butyl-1,2,3-trimethoxybenzene
SMILESCC(=O)NCc1ccc(C(C)(C)C)cc1.CC(C)(C)c1cc2ccccc2o1.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1cccc(Cl)c1.CC(C)(C)c1cccc(Cl)c1Cl.CC(C)(C)c1cccc(NS(C)(=O)=O)c1.CC(C)(C)c1cccc(O)c1.CC(C)(C)c1cccc2cccnc12.CC(C)(C)c1cccnc1.CC(C)Oc1ccccc1C(C)(C)C.CCOc1cccc(C(C)(C)C)c1.CCc1ccc(C(C)(C)C)cc1.CN(C)Cc1ccccc1C(C)(C)C.COc1cc(C(C)(C)C)cc(OC)c1OC.COc1ccc(C(C)(C)C)cn1.COc1ccc(F)cc1C(C)(C)C.Cc1cc(C(C)(C)C)ccc1F.Cc1cc(F)ccc1C(C)(C)C.Cc1ccc(C(C)(C)C)c(C)c1.Cc1ccc(C)c(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1ccccc1C(C)(C)C
InChIInChI=1S/C13H19NO.C13H15N.C13H21N.C13H20O3.C13H20O.C12H16O.C12H14O.C12H18O.3C12H18.C11H15FO.2C11H15F.C11H17NO2S.2C11H16.C10H12Cl2.C10H13Cl.C10H15NO.C10H14O.C9H13N/c1-10(15)14-9-11-5-7-12(8-6-11)13(2,3)4;1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-13(2,3)12-9-7-6-8-11(12)10-14(4)5;1-13(2,3)9-7-10(14-4)12(16-6)11(8-9)15-5;1-10(2)14-12-9-7-6-8-11(12)13(3,4)5;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-5-13-11-8-6-7-10(9-11)12(2,3)4;1-9-6-7-11(10(2)8-9)12(3,4)5;1-9-6-7-10(2)11(8-9)12(3,4)5;1-5-10-6-8-11(9-7-10)12(2,3)4;1-11(2,3)9-7-8(12)5-6-10(9)13-4;1-8-7-9(12)5-6-10(8)11(2,3)4;1-8-7-9(11(2,3)4)5-6-10(8)12;1-11(2,3)9-6-5-7-10(8-9)12-15(4,13)14;1-9-6-5-7-10(8-9)11(2,3)4;1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)7-5-4-6-8(11)9(7)12;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)8-5-6-9(12-4)11-7-8;1-10(2,3)8-5-4-6-9(11)7-8;1-9(2,3)8-5-4-6-10-7-8/h5-8H,9H2,1-4H3,(H,14,15);4-9H,1-3H3;6-9H,10H2,1-5H3;7-8H,1-6H3;6-10H,1-5H3;4-5,8H,6-7H2,1-3H3;4-8H,1-3H3;6-9H,5H2,1-4H3;2*6-8H,1-5H3;6-9H,5H2,1-4H3;5-7H,1-4H3;2*5-7H,1-4H3;5-8,12H,1-4H3;2*5-8H,1-4H3;4-6H,1-3H3;4-7H,1-3H3;5-7H,1-4H3;4-7,11H,1-3H3;4-7H,1-3H3
InChIKeyBFXLUYLEVPWRDM-UHFFFAOYSA-N
MW3875.08 g/mol
LogP71.08
Rot. Bonds16

About 2-tert-butyl-1-benzofuran;1-tert-butyl-3-chlorobenzene;1-tert-butyl-2,3-dichlorobenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;1-tert-butyl-4-ethylbenzene;2-tert-butyl-4-fluoro-1-methoxybenzene;1-tert-butyl-4-fluoro-2-methylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;N-(3-tert-butylphenyl)methanesulfonamide;N-[(4-tert-butylphenyl)methyl]acetamide;1-tert-butyl-2-propan-2-yloxybenzene;3-tert-butylpyridine;8-tert-butylquinoline;5-tert-butyl-1,2,3-trimethoxybenzene

2-tert-butyl-1-benzofuran;1-tert-butyl-3-chlorobenzene;1-tert-butyl-2,3-dichlorobenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;1-tert-butyl-4-ethylbenzene;2-tert-butyl-4-fluoro-1-methoxybenzene;1-tert-butyl-4-fluoro-2-methylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;N-(3-tert-butylphenyl)methanesulfonamide;N-[(4-tert-butylphenyl)methyl]acetamide;1-tert-butyl-2-propan-2-yloxybenzene;3-tert-butylpyridine;8-tert-butylquinoline;5-tert-butyl-1,2,3-trimethoxybenzene (PubChem CID 157336659) has the molecular formula C252H358Cl3F3N6O13S and a molecular weight of 3875.08 g/mol. Its IUPAC name is 2-tert-butyl-1-benzofuran;1-tert-butyl-3-chlorobenzene;1-tert-butyl-2,3-dichlorobenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;1-tert-butyl-4-ethylbenzene;2-tert-butyl-4-fluoro-1-methoxybenzene;1-tert-butyl-4-fluoro-2-methylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;N-(3-tert-butylphenyl)methanesulfonamide;N-[(4-tert-butylphenyl)methyl]acetamide;1-tert-butyl-2-propan-2-yloxybenzene;3-tert-butylpyridine;8-tert-butylquinoline;5-tert-butyl-1,2,3-trimethoxybenzene.

Molecular Properties

Compound Name2-tert-butyl-1-benzofuran;1-tert-butyl-3-chlorobenzene;1-tert-butyl-2,3-dichlorobenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;1-tert-butyl-4-ethylbenzene;2-tert-butyl-4-fluoro-1-methoxybenzene;1-tert-butyl-4-fluoro-2-methylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;N-(3-tert-butylphenyl)methanesulfonamide;N-[(4-tert-butylphenyl)methyl]acetamide;1-tert-butyl-2-propan-2-yloxybenzene;3-tert-butylpyridine;8-tert-butylquinoline;5-tert-butyl-1,2,3-trimethoxybenzene
PubChem CID157336659
Molecular FormulaC252H358Cl3F3N6O13S
Molecular Weight3875.08 g/mol
Exact Mass3870.63
IUPAC Name2-tert-butyl-1-benzofuran;1-tert-butyl-3-chlorobenzene;1-tert-butyl-2,3-dichlorobenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;1-tert-butyl-4-ethylbenzene;2-tert-butyl-4-fluoro-1-methoxybenzene;1-tert-butyl-4-fluoro-2-methylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;N-(3-tert-butylphenyl)methanesulfonamide;N-[(4-tert-butylphenyl)methyl]acetamide;1-tert-butyl-2-propan-2-yloxybenzene;3-tert-butylpyridine;8-tert-butylquinoline;5-tert-butyl-1,2,3-trimethoxybenzene
SMILESCC(=O)NCc1ccc(C(C)(C)C)cc1.CC(C)(C)c1cc2ccccc2o1.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1cccc(Cl)c1.CC(C)(C)c1cccc(Cl)c1Cl.CC(C)(C)c1cccc(NS(C)(=O)=O)c1.CC(C)(C)c1cccc(O)c1.CC(C)(C)c1cccc2cccnc12.CC(C)(C)c1cccnc1.CC(C)Oc1ccccc1C(C)(C)C.CCOc1cccc(C(C)(C)C)c1.CCc1ccc(C(C)(C)C)cc1.CN(C)Cc1ccccc1C(C)(C)C.COc1cc(C(C)(C)C)cc(OC)c1OC.COc1ccc(C(C)(C)C)cn1.COc1ccc(F)cc1C(C)(C)C.Cc1cc(C(C)(C)C)ccc1F.Cc1cc(F)ccc1C(C)(C)C.Cc1ccc(C(C)(C)C)c(C)c1.Cc1ccc(C)c(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1ccccc1C(C)(C)C
InChIInChI=1S/C13H19NO.C13H15N.C13H21N.C13H20O3.C13H20O.C12H16O.C12H14O.C12H18O.3C12H18.C11H15FO.2C11H15F.C11H17NO2S.2C11H16.C10H12Cl2.C10H13Cl.C10H15NO.C10H14O.C9H13N/c1-10(15)14-9-11-5-7-12(8-6-11)13(2,3)4;1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-13(2,3)12-9-7-6-8-11(12)10-14(4)5;1-13(2,3)9-7-10(14-4)12(16-6)11(8-9)15-5;1-10(2)14-12-9-7-6-8-11(12)13(3,4)5;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-5-13-11-8-6-7-10(9-11)12(2,3)4;1-9-6-7-11(10(2)8-9)12(3,4)5;1-9-6-7-10(2)11(8-9)12(3,4)5;1-5-10-6-8-11(9-7-10)12(2,3)4;1-11(2,3)9-7-8(12)5-6-10(9)13-4;1-8-7-9(12)5-6-10(8)11(2,3)4;1-8-7-9(11(2,3)4)5-6-10(8)12;1-11(2,3)9-6-5-7-10(8-9)12-15(4,13)14;1-9-6-5-7-10(8-9)11(2,3)4;1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)7-5-4-6-8(11)9(7)12;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)8-5-6-9(12-4)11-7-8;1-10(2,3)8-5-4-6-9(11)7-8;1-9(2,3)8-5-4-6-10-7-8/h5-8H,9H2,1-4H3,(H,14,15);4-9H,1-3H3;6-9H,10H2,1-5H3;7-8H,1-6H3;6-10H,1-5H3;4-5,8H,6-7H2,1-3H3;4-8H,1-3H3;6-9H,5H2,1-4H3;2*6-8H,1-5H3;6-9H,5H2,1-4H3;5-7H,1-4H3;2*5-7H,1-4H3;5-8,12H,1-4H3;2*5-8H,1-4H3;4-6H,1-3H3;4-7H,1-3H3;5-7H,1-4H3;4-7,11H,1-3H3;4-7H,1-3H3
InChIKeyBFXLUYLEVPWRDM-UHFFFAOYSA-N
XLogP71.08
TPSA224.39 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds16
Heavy Atoms278
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003875.08
LogP ≤ 571.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Analyze 2-tert-butyl-1-benzofuran;1-tert-butyl-3-chlorobenzene;1-tert-butyl-2,3-dichlorobenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;1-tert-butyl-4-ethylbenzene;2-tert-butyl-4-fluoro-1-methoxybenzene;1-tert-butyl-4-fluoro-2-methylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;N-(3-tert-butylphenyl)methanesulfonamide;N-[(4-tert-butylphenyl)methyl]acetamide;1-tert-butyl-2-propan-2-yloxybenzene;3-tert-butylpyridine;8-tert-butylquinoline;5-tert-butyl-1,2,3-trimethoxybenzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-benzofuran;1-tert-butyl-3-chlorobenzene;1-tert-butyl-2,3-dichlorobenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;1-tert-butyl-4-ethylbenzene;2-tert-butyl-4-fluoro-1-methoxybenzene;1-tert-butyl-4-fluoro-2-methylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;N-(3-tert-butylphenyl)methanesulfonamide;N-[(4-tert-butylphenyl)methyl]acetamide;1-tert-butyl-2-propan-2-yloxybenzene;3-tert-butylpyridine;8-tert-butylquinoline;5-tert-butyl-1,2,3-trimethoxybenzene?
The IUPAC name of 2-tert-butyl-1-benzofuran;1-tert-butyl-3-chlorobenzene;1-tert-butyl-2,3-dichlorobenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;1-tert-butyl-4-ethylbenzene;2-tert-butyl-4-fluoro-1-methoxybenzene;1-tert-butyl-4-fluoro-2-methylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;N-(3-tert-butylphenyl)methanesulfonamide;N-[(4-tert-butylphenyl)methyl]acetamide;1-tert-butyl-2-propan-2-yloxybenzene;3-tert-butylpyridine;8-tert-butylquinoline;5-tert-butyl-1,2,3-trimethoxybenzene (CID 157336659) is 2-tert-butyl-1-benzofuran;1-tert-butyl-3-chlorobenzene;1-tert-butyl-2,3-dichlorobenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;1-tert-butyl-4-ethylbenzene;2-tert-butyl-4-fluoro-1-methoxybenzene;1-tert-butyl-4-fluoro-2-methylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;N-(3-tert-butylphenyl)methanesulfonamide;N-[(4-tert-butylphenyl)methyl]acetamide;1-tert-butyl-2-propan-2-yloxybenzene;3-tert-butylpyridine;8-tert-butylquinoline;5-tert-butyl-1,2,3-trimethoxybenzene.
What is the SMILES notation for 2-tert-butyl-1-benzofuran;1-tert-butyl-3-chlorobenzene;1-tert-butyl-2,3-dichlorobenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;1-tert-butyl-4-ethylbenzene;2-tert-butyl-4-fluoro-1-methoxybenzene;1-tert-butyl-4-fluoro-2-methylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;N-(3-tert-butylphenyl)methanesulfonamide;N-[(4-tert-butylphenyl)methyl]acetamide;1-tert-butyl-2-propan-2-yloxybenzene;3-tert-butylpyridine;8-tert-butylquinoline;5-tert-butyl-1,2,3-trimethoxybenzene?
The canonical SMILES for 2-tert-butyl-1-benzofuran;1-tert-butyl-3-chlorobenzene;1-tert-butyl-2,3-dichlorobenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;1-tert-butyl-4-ethylbenzene;2-tert-butyl-4-fluoro-1-methoxybenzene;1-tert-butyl-4-fluoro-2-methylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;N-(3-tert-butylphenyl)methanesulfonamide;N-[(4-tert-butylphenyl)methyl]acetamide;1-tert-butyl-2-propan-2-yloxybenzene;3-tert-butylpyridine;8-tert-butylquinoline;5-tert-butyl-1,2,3-trimethoxybenzene is CC(=O)NCc1ccc(C(C)(C)C)cc1.CC(C)(C)c1cc2ccccc2o1.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1cccc(Cl)c1.CC(C)(C)c1cccc(Cl)c1Cl.CC(C)(C)c1cccc(NS(C)(=O)=O)c1.CC(C)(C)c1cccc(O)c1.CC(C)(C)c1cccc2cccnc12.CC(C)(C)c1cccnc1.CC(C)Oc1ccccc1C(C)(C)C.CCOc1cccc(C(C)(C)C)c1.CCc1ccc(C(C)(C)C)cc1.CN(C)Cc1ccccc1C(C)(C)C.COc1cc(C(C)(C)C)cc(OC)c1OC.COc1ccc(C(C)(C)C)cn1.COc1ccc(F)cc1C(C)(C)C.Cc1cc(C(C)(C)C)ccc1F.Cc1cc(F)ccc1C(C)(C)C.Cc1ccc(C(C)(C)C)c(C)c1.Cc1ccc(C)c(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1ccccc1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-benzofuran;1-tert-butyl-3-chlorobenzene;1-tert-butyl-2,3-dichlorobenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;1-tert-butyl-4-ethylbenzene;2-tert-butyl-4-fluoro-1-methoxybenzene;1-tert-butyl-4-fluoro-2-methylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;N-(3-tert-butylphenyl)methanesulfonamide;N-[(4-tert-butylphenyl)methyl]acetamide;1-tert-butyl-2-propan-2-yloxybenzene;3-tert-butylpyridine;8-tert-butylquinoline;5-tert-butyl-1,2,3-trimethoxybenzene?
The InChIKey is BFXLUYLEVPWRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.C13H15N.C13H21N.C13H20O3.C13H20O.C12H16O.C12H14O.C12H18O.3C12H18.C11H15FO.2C11H15F.C11H17NO2S.2C11H16.C10H12Cl2.C10H13Cl.C10H15NO.C10H14O.C9H13N/c1-10(15)14-9-11-5-7-12(8-6-11)13(2,3)4;1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-13(2,3)12-9-7-6-8-11(12)10-14(4)5;1-13(2,3)9-7-10(14-4)12(16-6)11(8-9)15-5;1-10(2)14-12-9-7-6-8-11(12)13(3,4)5;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-5-13-11-8-6-7-10(9-11)12(2,3)4;1-9-6-7-11(10(2)8-9)12(3,4)5;1-9-6-7-10(2)11(8-9)12(3,4)5;1-5-10-6-8-11(9-7-10)12(2,3)4;1-11(2,3)9-7-8(12)5-6-10(9)13-4;1-8-7-9(12)5-6-10(8)11(2,3)4;1-8-7-9(11(2,3)4)5-6-10(8)12;1-11(2,3)9-6-5-7-10(8-9)12-15(4,13)14;1-9-6-5-7-10(8-9)11(2,3)4;1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)7-5-4-6-8(11)9(7)12;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)8-5-6-9(12-4)11-7-8;1-10(2,3)8-5-4-6-9(11)7-8;1-9(2,3)8-5-4-6-10-7-8/h5-8H,9H2,1-4H3,(H,14,15);4-9H,1-3H3;6-9H,10H2,1-5H3;7-8H,1-6H3;6-10H,1-5H3;4-5,8H,6-7H2,1-3H3;4-8H,1-3H3;6-9H,5H2,1-4H3;2*6-8H,1-5H3;6-9H,5H2,1-4H3;5-7H,1-4H3;2*5-7H,1-4H3;5-8,12H,1-4H3;2*5-8H,1-4H3;4-6H,1-3H3;4-7H,1-3H3;5-7H,1-4H3;4-7,11H,1-3H3;4-7H,1-3H3.
What are the key properties of 2-tert-butyl-1-benzofuran;1-tert-butyl-3-chlorobenzene;1-tert-butyl-2,3-dichlorobenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;1-tert-butyl-4-ethylbenzene;2-tert-butyl-4-fluoro-1-methoxybenzene;1-tert-butyl-4-fluoro-2-methylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;N-(3-tert-butylphenyl)methanesulfonamide;N-[(4-tert-butylphenyl)methyl]acetamide;1-tert-butyl-2-propan-2-yloxybenzene;3-tert-butylpyridine;8-tert-butylquinoline;5-tert-butyl-1,2,3-trimethoxybenzene?
2-tert-butyl-1-benzofuran;1-tert-butyl-3-chlorobenzene;1-tert-butyl-2,3-dichlorobenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;1-tert-butyl-4-ethylbenzene;2-tert-butyl-4-fluoro-1-methoxybenzene;1-tert-butyl-4-fluoro-2-methylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;N-(3-tert-butylphenyl)methanesulfonamide;N-[(4-tert-butylphenyl)methyl]acetamide;1-tert-butyl-2-propan-2-yloxybenzene;3-tert-butylpyridine;8-tert-butylquinoline;5-tert-butyl-1,2,3-trimethoxybenzene has a molecular weight of 3875.08 g/mol, XLogP of 71.08, 16 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-benzofuran;1-tert-butyl-3-chlorobenzene;1-tert-butyl-2,3-dichlorobenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;1-tert-butyl-4-ethylbenzene;2-tert-butyl-4-fluoro-1-methoxybenzene;1-tert-butyl-4-fluoro-2-methylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;N-(3-tert-butylphenyl)methanesulfonamide;N-[(4-tert-butylphenyl)methyl]acetamide;1-tert-butyl-2-propan-2-yloxybenzene;3-tert-butylpyridine;8-tert-butylquinoline;5-tert-butyl-1,2,3-trimethoxybenzene is sourced from PubChem (CID 157336659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).