2-tert-butyl-1-benzofuran;1-tert-butyl-3-chlorobenzene;1-tert-butyl-3-chloro-2-methylbenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,3-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;5-tert-butyl-1-ethyl-2,3-dimethoxybenzene;1-tert-butyl-2-ethyl-4-methoxybenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)methanol;N-[(4-tert-butylphenyl)methyl]acetamide;(4-tert-butylphenyl)-methyl-methylidene-oxo-λ6-sulfane;1-tert-butyl-2-propan-2-ylbenzene;3-tert-butylpyridine;8-tert-butylquinoline

C246H356Cl2N6O12S — CID 160564981

IUPAC2-tert-butyl-1-benzofuran;1-tert-butyl-3-chlorobenzene;1-tert-butyl-3-chloro-2-methylbenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,3-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;5-tert-butyl-1-ethyl-2,3-dimethoxybenzene;1-tert-butyl-2-ethyl-4-methoxybenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)methanol;N-[(4-tert-butylphenyl)methyl]acetamide;(4-tert-butylphenyl)-methyl-methylidene-oxo-λ6-sulfane;1-tert-butyl-2-propan-2-ylbenzene;3-tert-butylpyridine;8-tert-butylquinoline
SMILESC=S(C)(=O)c1ccc(C(C)(C)C)cc1.CC(=O)NCc1ccc(C(C)(C)C)cc1.CC(C)(C)c1cc2ccccc2o1.CC(C)(C)c1ccc(CO)cc1.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1cccc(CO)c1.CC(C)(C)c1cccc(Cl)c1.CC(C)(C)c1cccc(O)c1.CC(C)(C)c1cccc2cccnc12.CC(C)(C)c1cccnc1.CC(C)c1ccccc1C(C)(C)C.CCOc1cccc(C(C)(C)C)c1.CCc1cc(C(C)(C)C)cc(OC)c1OC.CCc1cc(OC)ccc1C(C)(C)C.CN(C)Cc1ccccc1C(C)(C)C.CN(C)c1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cn1.Cc1c(Cl)cccc1C(C)(C)C.Cc1ccc(C(C)(C)C)c(C)c1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C)c1C(C)(C)C
InChIInChI=1S/C14H22O2.C13H19NO.C13H15N.C13H21N.C13H20O.C13H20.C12H19N.C12H18OS.C12H16O.C12H14O.C12H18O.2C12H18.C11H15Cl.2C11H16O.C11H16.C10H13Cl.C10H15NO.C10H14O.C9H13N/c1-7-10-8-11(14(2,3)4)9-12(15-5)13(10)16-6;1-10(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;1-6-10-9-11(14-5)7-8-12(10)13(2,3)4;1-10(2)11-8-6-7-9-12(11)13(3,4)5;1-12(2,3)10-6-8-11(9-7-10)13(4)5;1-12(2,3)10-6-8-11(9-7-10)14(4,5)13;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;1-9-7-6-8-10(2)11(9)12(3,4)5;1-8-9(11(2,3)4)6-5-7-10(8)12;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)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/h8-9H,7H2,1-6H3;5-8H,9H2,1-4H3,(H,14,15);4-9H,1-3H3;6-9H,10H2,1-5H3;7-9H,6H2,1-5H3;6-10H,1-5H3;6-9H,1-5H3;6-9H,4H2,1-3,5H3;4-5,8H,6-7H2,1-3H3;4-8H,1-3H3;6-9H,5H2,1-4H3;2*6-8H,1-5H3;5-7H,1-4H3;2*4-7,12H,8H2,1-3H3;5-8H,1-4H3;4-7H,1-3H3;5-7H,1-4H3;4-7,11H,1-3H3;4-7H,1-3H3
InChIKeyQZUKYUQRHFDNQV-UHFFFAOYSA-N
MW3692.56 g/mol
LogP66.68
Rot. Bonds17

About 2-tert-butyl-1-benzofuran;1-tert-butyl-3-chlorobenzene;1-tert-butyl-3-chloro-2-methylbenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,3-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;5-tert-butyl-1-ethyl-2,3-dimethoxybenzene;1-tert-butyl-2-ethyl-4-methoxybenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)methanol;N-[(4-tert-butylphenyl)methyl]acetamide;(4-tert-butylphenyl)-methyl-methylidene-oxo-λ6-sulfane;1-tert-butyl-2-propan-2-ylbenzene;3-tert-butylpyridine;8-tert-butylquinoline

2-tert-butyl-1-benzofuran;1-tert-butyl-3-chlorobenzene;1-tert-butyl-3-chloro-2-methylbenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,3-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;5-tert-butyl-1-ethyl-2,3-dimethoxybenzene;1-tert-butyl-2-ethyl-4-methoxybenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)methanol;N-[(4-tert-butylphenyl)methyl]acetamide;(4-tert-butylphenyl)-methyl-methylidene-oxo-λ6-sulfane;1-tert-butyl-2-propan-2-ylbenzene;3-tert-butylpyridine;8-tert-butylquinoline (PubChem CID 160564981) has the molecular formula C246H356Cl2N6O12S and a molecular weight of 3692.56 g/mol. Its IUPAC name is 2-tert-butyl-1-benzofuran;1-tert-butyl-3-chlorobenzene;1-tert-butyl-3-chloro-2-methylbenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,3-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;5-tert-butyl-1-ethyl-2,3-dimethoxybenzene;1-tert-butyl-2-ethyl-4-methoxybenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)methanol;N-[(4-tert-butylphenyl)methyl]acetamide;(4-tert-butylphenyl)-methyl-methylidene-oxo-λ6-sulfane;1-tert-butyl-2-propan-2-ylbenzene;3-tert-butylpyridine;8-tert-butylquinoline.

Molecular Properties

Compound Name2-tert-butyl-1-benzofuran;1-tert-butyl-3-chlorobenzene;1-tert-butyl-3-chloro-2-methylbenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,3-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;5-tert-butyl-1-ethyl-2,3-dimethoxybenzene;1-tert-butyl-2-ethyl-4-methoxybenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)methanol;N-[(4-tert-butylphenyl)methyl]acetamide;(4-tert-butylphenyl)-methyl-methylidene-oxo-λ6-sulfane;1-tert-butyl-2-propan-2-ylbenzene;3-tert-butylpyridine;8-tert-butylquinoline
PubChem CID160564981
Molecular FormulaC246H356Cl2N6O12S
Molecular Weight3692.56 g/mol
Exact Mass3688.65
IUPAC Name2-tert-butyl-1-benzofuran;1-tert-butyl-3-chlorobenzene;1-tert-butyl-3-chloro-2-methylbenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,3-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;5-tert-butyl-1-ethyl-2,3-dimethoxybenzene;1-tert-butyl-2-ethyl-4-methoxybenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)methanol;N-[(4-tert-butylphenyl)methyl]acetamide;(4-tert-butylphenyl)-methyl-methylidene-oxo-λ6-sulfane;1-tert-butyl-2-propan-2-ylbenzene;3-tert-butylpyridine;8-tert-butylquinoline
SMILESC=S(C)(=O)c1ccc(C(C)(C)C)cc1.CC(=O)NCc1ccc(C(C)(C)C)cc1.CC(C)(C)c1cc2ccccc2o1.CC(C)(C)c1ccc(CO)cc1.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1cccc(CO)c1.CC(C)(C)c1cccc(Cl)c1.CC(C)(C)c1cccc(O)c1.CC(C)(C)c1cccc2cccnc12.CC(C)(C)c1cccnc1.CC(C)c1ccccc1C(C)(C)C.CCOc1cccc(C(C)(C)C)c1.CCc1cc(C(C)(C)C)cc(OC)c1OC.CCc1cc(OC)ccc1C(C)(C)C.CN(C)Cc1ccccc1C(C)(C)C.CN(C)c1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cn1.Cc1c(Cl)cccc1C(C)(C)C.Cc1ccc(C(C)(C)C)c(C)c1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C)c1C(C)(C)C
InChIInChI=1S/C14H22O2.C13H19NO.C13H15N.C13H21N.C13H20O.C13H20.C12H19N.C12H18OS.C12H16O.C12H14O.C12H18O.2C12H18.C11H15Cl.2C11H16O.C11H16.C10H13Cl.C10H15NO.C10H14O.C9H13N/c1-7-10-8-11(14(2,3)4)9-12(15-5)13(10)16-6;1-10(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;1-6-10-9-11(14-5)7-8-12(10)13(2,3)4;1-10(2)11-8-6-7-9-12(11)13(3,4)5;1-12(2,3)10-6-8-11(9-7-10)13(4)5;1-12(2,3)10-6-8-11(9-7-10)14(4,5)13;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;1-9-7-6-8-10(2)11(9)12(3,4)5;1-8-9(11(2,3)4)6-5-7-10(8)12;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)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/h8-9H,7H2,1-6H3;5-8H,9H2,1-4H3,(H,14,15);4-9H,1-3H3;6-9H,10H2,1-5H3;7-9H,6H2,1-5H3;6-10H,1-5H3;6-9H,1-5H3;6-9H,4H2,1-3,5H3;4-5,8H,6-7H2,1-3H3;4-8H,1-3H3;6-9H,5H2,1-4H3;2*6-8H,1-5H3;5-7H,1-4H3;2*4-7,12H,8H2,1-3H3;5-8H,1-4H3;4-7H,1-3H3;5-7H,1-4H3;4-7,11H,1-3H3;4-7H,1-3H3
InChIKeyQZUKYUQRHFDNQV-UHFFFAOYSA-N
XLogP66.68
TPSA220.53 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds17
Heavy Atoms267
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003692.56
LogP ≤ 566.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-tert-butyl-1-benzofuran;1-tert-butyl-3-chlorobenzene;1-tert-butyl-3-chloro-2-methylbenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,3-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;5-tert-butyl-1-ethyl-2,3-dimethoxybenzene;1-tert-butyl-2-ethyl-4-methoxybenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)methanol;N-[(4-tert-butylphenyl)methyl]acetamide;(4-tert-butylphenyl)-methyl-methylidene-oxo-λ6-sulfane;1-tert-butyl-2-propan-2-ylbenzene;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-3-chloro-2-methylbenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,3-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;5-tert-butyl-1-ethyl-2,3-dimethoxybenzene;1-tert-butyl-2-ethyl-4-methoxybenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)methanol;N-[(4-tert-butylphenyl)methyl]acetamide;(4-tert-butylphenyl)-methyl-methylidene-oxo-λ6-sulfane;1-tert-butyl-2-propan-2-ylbenzene;3-tert-butylpyridine;8-tert-butylquinoline?
The IUPAC name of 2-tert-butyl-1-benzofuran;1-tert-butyl-3-chlorobenzene;1-tert-butyl-3-chloro-2-methylbenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,3-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;5-tert-butyl-1-ethyl-2,3-dimethoxybenzene;1-tert-butyl-2-ethyl-4-methoxybenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)methanol;N-[(4-tert-butylphenyl)methyl]acetamide;(4-tert-butylphenyl)-methyl-methylidene-oxo-λ6-sulfane;1-tert-butyl-2-propan-2-ylbenzene;3-tert-butylpyridine;8-tert-butylquinoline (CID 160564981) is 2-tert-butyl-1-benzofuran;1-tert-butyl-3-chlorobenzene;1-tert-butyl-3-chloro-2-methylbenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,3-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;5-tert-butyl-1-ethyl-2,3-dimethoxybenzene;1-tert-butyl-2-ethyl-4-methoxybenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)methanol;N-[(4-tert-butylphenyl)methyl]acetamide;(4-tert-butylphenyl)-methyl-methylidene-oxo-λ6-sulfane;1-tert-butyl-2-propan-2-ylbenzene;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-3-chloro-2-methylbenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,3-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;5-tert-butyl-1-ethyl-2,3-dimethoxybenzene;1-tert-butyl-2-ethyl-4-methoxybenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)methanol;N-[(4-tert-butylphenyl)methyl]acetamide;(4-tert-butylphenyl)-methyl-methylidene-oxo-λ6-sulfane;1-tert-butyl-2-propan-2-ylbenzene;3-tert-butylpyridine;8-tert-butylquinoline?
The canonical SMILES for 2-tert-butyl-1-benzofuran;1-tert-butyl-3-chlorobenzene;1-tert-butyl-3-chloro-2-methylbenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,3-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;5-tert-butyl-1-ethyl-2,3-dimethoxybenzene;1-tert-butyl-2-ethyl-4-methoxybenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)methanol;N-[(4-tert-butylphenyl)methyl]acetamide;(4-tert-butylphenyl)-methyl-methylidene-oxo-λ6-sulfane;1-tert-butyl-2-propan-2-ylbenzene;3-tert-butylpyridine;8-tert-butylquinoline is C=S(C)(=O)c1ccc(C(C)(C)C)cc1.CC(=O)NCc1ccc(C(C)(C)C)cc1.CC(C)(C)c1cc2ccccc2o1.CC(C)(C)c1ccc(CO)cc1.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1cccc(CO)c1.CC(C)(C)c1cccc(Cl)c1.CC(C)(C)c1cccc(O)c1.CC(C)(C)c1cccc2cccnc12.CC(C)(C)c1cccnc1.CC(C)c1ccccc1C(C)(C)C.CCOc1cccc(C(C)(C)C)c1.CCc1cc(C(C)(C)C)cc(OC)c1OC.CCc1cc(OC)ccc1C(C)(C)C.CN(C)Cc1ccccc1C(C)(C)C.CN(C)c1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cn1.Cc1c(Cl)cccc1C(C)(C)C.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-3-chloro-2-methylbenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,3-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;5-tert-butyl-1-ethyl-2,3-dimethoxybenzene;1-tert-butyl-2-ethyl-4-methoxybenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)methanol;N-[(4-tert-butylphenyl)methyl]acetamide;(4-tert-butylphenyl)-methyl-methylidene-oxo-λ6-sulfane;1-tert-butyl-2-propan-2-ylbenzene;3-tert-butylpyridine;8-tert-butylquinoline?
The InChIKey is QZUKYUQRHFDNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2.C13H19NO.C13H15N.C13H21N.C13H20O.C13H20.C12H19N.C12H18OS.C12H16O.C12H14O.C12H18O.2C12H18.C11H15Cl.2C11H16O.C11H16.C10H13Cl.C10H15NO.C10H14O.C9H13N/c1-7-10-8-11(14(2,3)4)9-12(15-5)13(10)16-6;1-10(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;1-6-10-9-11(14-5)7-8-12(10)13(2,3)4;1-10(2)11-8-6-7-9-12(11)13(3,4)5;1-12(2,3)10-6-8-11(9-7-10)13(4)5;1-12(2,3)10-6-8-11(9-7-10)14(4,5)13;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;1-9-7-6-8-10(2)11(9)12(3,4)5;1-8-9(11(2,3)4)6-5-7-10(8)12;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)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/h8-9H,7H2,1-6H3;5-8H,9H2,1-4H3,(H,14,15);4-9H,1-3H3;6-9H,10H2,1-5H3;7-9H,6H2,1-5H3;6-10H,1-5H3;6-9H,1-5H3;6-9H,4H2,1-3,5H3;4-5,8H,6-7H2,1-3H3;4-8H,1-3H3;6-9H,5H2,1-4H3;2*6-8H,1-5H3;5-7H,1-4H3;2*4-7,12H,8H2,1-3H3;5-8H,1-4H3;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-3-chloro-2-methylbenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,3-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;5-tert-butyl-1-ethyl-2,3-dimethoxybenzene;1-tert-butyl-2-ethyl-4-methoxybenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)methanol;N-[(4-tert-butylphenyl)methyl]acetamide;(4-tert-butylphenyl)-methyl-methylidene-oxo-λ6-sulfane;1-tert-butyl-2-propan-2-ylbenzene;3-tert-butylpyridine;8-tert-butylquinoline?
2-tert-butyl-1-benzofuran;1-tert-butyl-3-chlorobenzene;1-tert-butyl-3-chloro-2-methylbenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,3-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;5-tert-butyl-1-ethyl-2,3-dimethoxybenzene;1-tert-butyl-2-ethyl-4-methoxybenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)methanol;N-[(4-tert-butylphenyl)methyl]acetamide;(4-tert-butylphenyl)-methyl-methylidene-oxo-λ6-sulfane;1-tert-butyl-2-propan-2-ylbenzene;3-tert-butylpyridine;8-tert-butylquinoline has a molecular weight of 3692.56 g/mol, XLogP of 66.68, 17 rotatable bonds, 4 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-3-chloro-2-methylbenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,3-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;5-tert-butyl-1-ethyl-2,3-dimethoxybenzene;1-tert-butyl-2-ethyl-4-methoxybenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)methanol;N-[(4-tert-butylphenyl)methyl]acetamide;(4-tert-butylphenyl)-methyl-methylidene-oxo-λ6-sulfane;1-tert-butyl-2-propan-2-ylbenzene;3-tert-butylpyridine;8-tert-butylquinoline is sourced from PubChem (CID 160564981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).