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-dimethoxybenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,3-dimethylbenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylsulfonylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)methanol;3-tert-butylpyridine;8-tert-butylquinoline

C191H270Cl3N5O10S — CID 159465478

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-dimethoxybenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,3-dimethylbenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylsulfonylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)methanol;3-tert-butylpyridine;8-tert-butylquinoline
SMILESCC(C)(C)c1cc2ccccc2o1.CC(C)(C)c1ccc(CO)cc1.CC(C)(C)c1ccc(S(C)(=O)=O)cc1.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1cccc(CO)c1.CC(C)(C)c1cccc(Cl)c1.CC(C)(C)c1cccc(Cl)c1Cl.CC(C)(C)c1cccc(O)c1.CC(C)(C)c1cccc2cccnc12.CC(C)(C)c1cccnc1.CN(C)Cc1ccccc1C(C)(C)C.CN(C)c1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)c(OC)c1.COc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)c(C)c1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C)c1C(C)(C)C
InChIInChI=1S/C13H15N.C13H21N.C12H19N.C12H18O2.C12H16O.C12H14O.2C12H18.C11H16O2S.2C11H16O.C11H16.C10H12Cl2.C10H13Cl.C10H15NO.C10H14O.C9H13N/c1-13(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;1-12(2,3)10-6-8-11(9-7-10)13(4)5;1-12(2,3)10-7-6-9(13-4)8-11(10)14-5;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;1-9-6-7-11(10(2)8-9)12(3,4)5;1-9-7-6-8-10(2)11(9)12(3,4)5;1-11(2,3)9-5-7-10(8-6-9)14(4,12)13;1-11(2,3)10-6-4-9(8-12)5-7-10;1-11(2,3)10-6-4-5-9(7-10)8-12;1-9-6-5-7-10(8-9)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/h4-9H,1-3H3;6-9H,10H2,1-5H3;6-9H,1-5H3;6-8H,1-5H3;4-5,8H,6-7H2,1-3H3;4-8H,1-3H3;2*6-8H,1-5H3;5-8H,1-4H3;2*4-7,12H,8H2,1-3H3;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
InChIKeyLVCWRIOWWYOOID-UHFFFAOYSA-N
MW2934.71 g/mol
LogP52.50
Rot. Bonds9

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-dimethoxybenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,3-dimethylbenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylsulfonylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)methanol;3-tert-butylpyridine;8-tert-butylquinoline

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-dimethoxybenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,3-dimethylbenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylsulfonylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)methanol;3-tert-butylpyridine;8-tert-butylquinoline (PubChem CID 159465478) has the molecular formula C191H270Cl3N5O10S and a molecular weight of 2934.71 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-dimethoxybenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,3-dimethylbenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylsulfonylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)methanol;3-tert-butylpyridine;8-tert-butylquinoline.

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-dimethoxybenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,3-dimethylbenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylsulfonylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)methanol;3-tert-butylpyridine;8-tert-butylquinoline
PubChem CID159465478
Molecular FormulaC191H270Cl3N5O10S
Molecular Weight2934.71 g/mol
Exact Mass2930.96
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-dimethoxybenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,3-dimethylbenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylsulfonylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)methanol;3-tert-butylpyridine;8-tert-butylquinoline
SMILESCC(C)(C)c1cc2ccccc2o1.CC(C)(C)c1ccc(CO)cc1.CC(C)(C)c1ccc(S(C)(=O)=O)cc1.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1cccc(CO)c1.CC(C)(C)c1cccc(Cl)c1.CC(C)(C)c1cccc(Cl)c1Cl.CC(C)(C)c1cccc(O)c1.CC(C)(C)c1cccc2cccnc12.CC(C)(C)c1cccnc1.CN(C)Cc1ccccc1C(C)(C)C.CN(C)c1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)c(OC)c1.COc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)c(C)c1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C)c1C(C)(C)C
InChIInChI=1S/C13H15N.C13H21N.C12H19N.C12H18O2.C12H16O.C12H14O.2C12H18.C11H16O2S.2C11H16O.C11H16.C10H12Cl2.C10H13Cl.C10H15NO.C10H14O.C9H13N/c1-13(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;1-12(2,3)10-6-8-11(9-7-10)13(4)5;1-12(2,3)10-7-6-9(13-4)8-11(10)14-5;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;1-9-6-7-11(10(2)8-9)12(3,4)5;1-9-7-6-8-10(2)11(9)12(3,4)5;1-11(2,3)9-5-7-10(8-6-9)14(4,12)13;1-11(2,3)10-6-4-9(8-12)5-7-10;1-11(2,3)10-6-4-5-9(7-10)8-12;1-9-6-5-7-10(8-9)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/h4-9H,1-3H3;6-9H,10H2,1-5H3;6-9H,1-5H3;6-8H,1-5H3;4-5,8H,6-7H2,1-3H3;4-8H,1-3H3;2*6-8H,1-5H3;5-8H,1-4H3;2*4-7,12H,8H2,1-3H3;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
InChIKeyLVCWRIOWWYOOID-UHFFFAOYSA-N
XLogP52.50
TPSA190.04 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms210
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002934.71
LogP ≤ 552.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

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-dimethoxybenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,3-dimethylbenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylsulfonylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)methanol;3-tert-butylpyridine;8-tert-butylquinoline 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-dimethoxybenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,3-dimethylbenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylsulfonylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)methanol;3-tert-butylpyridine;8-tert-butylquinoline?
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-dimethoxybenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,3-dimethylbenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylsulfonylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)methanol;3-tert-butylpyridine;8-tert-butylquinoline (CID 159465478) 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-dimethoxybenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,3-dimethylbenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylsulfonylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)methanol;3-tert-butylpyridine;8-tert-butylquinoline.
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-dimethoxybenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,3-dimethylbenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylsulfonylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)methanol;3-tert-butylpyridine;8-tert-butylquinoline?
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-dimethoxybenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,3-dimethylbenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylsulfonylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)methanol;3-tert-butylpyridine;8-tert-butylquinoline is CC(C)(C)c1cc2ccccc2o1.CC(C)(C)c1ccc(CO)cc1.CC(C)(C)c1ccc(S(C)(=O)=O)cc1.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1cccc(CO)c1.CC(C)(C)c1cccc(Cl)c1.CC(C)(C)c1cccc(Cl)c1Cl.CC(C)(C)c1cccc(O)c1.CC(C)(C)c1cccc2cccnc12.CC(C)(C)c1cccnc1.CN(C)Cc1ccccc1C(C)(C)C.CN(C)c1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)c(OC)c1.COc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)c(C)c1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C)c1C(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-dimethoxybenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,3-dimethylbenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylsulfonylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)methanol;3-tert-butylpyridine;8-tert-butylquinoline?
The InChIKey is LVCWRIOWWYOOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N.C13H21N.C12H19N.C12H18O2.C12H16O.C12H14O.2C12H18.C11H16O2S.2C11H16O.C11H16.C10H12Cl2.C10H13Cl.C10H15NO.C10H14O.C9H13N/c1-13(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;1-12(2,3)10-6-8-11(9-7-10)13(4)5;1-12(2,3)10-7-6-9(13-4)8-11(10)14-5;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;1-9-6-7-11(10(2)8-9)12(3,4)5;1-9-7-6-8-10(2)11(9)12(3,4)5;1-11(2,3)9-5-7-10(8-6-9)14(4,12)13;1-11(2,3)10-6-4-9(8-12)5-7-10;1-11(2,3)10-6-4-5-9(7-10)8-12;1-9-6-5-7-10(8-9)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/h4-9H,1-3H3;6-9H,10H2,1-5H3;6-9H,1-5H3;6-8H,1-5H3;4-5,8H,6-7H2,1-3H3;4-8H,1-3H3;2*6-8H,1-5H3;5-8H,1-4H3;2*4-7,12H,8H2,1-3H3;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-dimethoxybenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,3-dimethylbenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylsulfonylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)methanol;3-tert-butylpyridine;8-tert-butylquinoline?
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-dimethoxybenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,3-dimethylbenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylsulfonylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)methanol;3-tert-butylpyridine;8-tert-butylquinoline has a molecular weight of 2934.71 g/mol, XLogP of 52.50, 9 rotatable bonds, 3 hydrogen bond donors, and 15 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-dimethoxybenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,3-dimethylbenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylsulfonylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)methanol;3-tert-butylpyridine;8-tert-butylquinoline is sourced from PubChem (CID 159465478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).