3-tert-butylbenzamide;1-tert-butyl-3-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylaniline;2-tert-butyl-1,3-dimethylbenzene;4-tert-butyl-3-ethyl-N,N-dimethylaniline;1-tert-butyl-2-ethyl-4-methoxybenzene;4-tert-butyl-2-fluoro-1-methoxybenzene;1-tert-butyl-2-methoxybenzene;5-tert-butyl-2-methoxypyridine;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-4-methylsulfonylbenzene;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)methanol;1-tert-butyl-2-propan-2-ylbenzene;3-tert-butylpyridine;1-(2-propan-2-ylphenyl)ethanone;4-(4-propan-2-ylphenyl)morpholine

C227H328Cl2F2N6O12S — CID 158060102

IUPAC3-tert-butylbenzamide;1-tert-butyl-3-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylaniline;2-tert-butyl-1,3-dimethylbenzene;4-tert-butyl-3-ethyl-N,N-dimethylaniline;1-tert-butyl-2-ethyl-4-methoxybenzene;4-tert-butyl-2-fluoro-1-methoxybenzene;1-tert-butyl-2-methoxybenzene;5-tert-butyl-2-methoxypyridine;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-4-methylsulfonylbenzene;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)methanol;1-tert-butyl-2-propan-2-ylbenzene;3-tert-butylpyridine;1-(2-propan-2-ylphenyl)ethanone;4-(4-propan-2-ylphenyl)morpholine
SMILESCC(=O)c1ccccc1C(C)C.CC(C)(C)c1ccc(CO)cc1.CC(C)(C)c1ccc(F)c(Cl)c1.CC(C)(C)c1ccc(S(C)(=O)=O)cc1.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1cccc(C(N)=O)c1.CC(C)(C)c1cccc(CO)c1.CC(C)(C)c1cccc(Cl)c1.CC(C)(C)c1cccnc1.CC(C)c1ccc(N2CCOCC2)cc1.CC(C)c1ccccc1C(C)(C)C.CCc1cc(N(C)C)ccc1C(C)(C)C.CCc1cc(OC)ccc1C(C)(C)C.CN(C)c1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cc1F.COc1ccc(C(C)(C)C)cn1.COc1ccccc1C(C)(C)C.Cc1cccc(C)c1C(C)(C)C.Cc1ccccc1C(C)(C)C.Cc1ccccc1C(C)(C)C
InChIInChI=1S/C14H23N.C13H19NO.C13H20O.C13H20.C12H19N.C12H16O.C12H18.C11H15FO.C11H15NO.C11H16O2S.3C11H16O.C11H14O.2C11H16.C10H12ClF.C10H13Cl.C10H15NO.C9H13N/c1-7-11-10-12(15(5)6)8-9-13(11)14(2,3)4;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;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)10-4-5-11-9(8-10)6-7-13-11;1-9-7-6-8-10(2)11(9)12(3,4)5;1-11(2,3)8-5-6-10(13-4)9(12)7-8;1-11(2,3)9-6-4-5-8(7-9)10(12)13;1-11(2,3)9-5-7-10(8-6-9)14(4,12)13;1-11(2,3)9-7-5-6-8-10(9)12-4;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;1-8(2)10-6-4-5-7-11(10)9(3)12;2*1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)7-4-5-9(12)8(11)6-7;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;1-9(2,3)8-5-4-6-10-7-8/h8-10H,7H2,1-6H3;3-6,11H,7-10H2,1-2H3;7-9H,6H2,1-5H3;6-10H,1-5H3;6-9H,1-5H3;4-5,8H,6-7H2,1-3H3;6-8H,1-5H3;5-7H,1-4H3;4-7H,1-3H3,(H2,12,13);5-8H,1-4H3;5-8H,1-4H3;2*4-7,12H,8H2,1-3H3;4-8H,1-3H3;2*5-8H,1-4H3;4-6H,1-3H3;4-7H,1-3H3;5-7H,1-4H3;4-7H,1-3H3
InChIKeyFKNNWGZJVBVSGE-UHFFFAOYSA-N
MW3474.12 g/mol
LogP60.82
Rot. Bonds17

About 3-tert-butylbenzamide;1-tert-butyl-3-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylaniline;2-tert-butyl-1,3-dimethylbenzene;4-tert-butyl-3-ethyl-N,N-dimethylaniline;1-tert-butyl-2-ethyl-4-methoxybenzene;4-tert-butyl-2-fluoro-1-methoxybenzene;1-tert-butyl-2-methoxybenzene;5-tert-butyl-2-methoxypyridine;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-4-methylsulfonylbenzene;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)methanol;1-tert-butyl-2-propan-2-ylbenzene;3-tert-butylpyridine;1-(2-propan-2-ylphenyl)ethanone;4-(4-propan-2-ylphenyl)morpholine

3-tert-butylbenzamide;1-tert-butyl-3-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylaniline;2-tert-butyl-1,3-dimethylbenzene;4-tert-butyl-3-ethyl-N,N-dimethylaniline;1-tert-butyl-2-ethyl-4-methoxybenzene;4-tert-butyl-2-fluoro-1-methoxybenzene;1-tert-butyl-2-methoxybenzene;5-tert-butyl-2-methoxypyridine;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-4-methylsulfonylbenzene;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)methanol;1-tert-butyl-2-propan-2-ylbenzene;3-tert-butylpyridine;1-(2-propan-2-ylphenyl)ethanone;4-(4-propan-2-ylphenyl)morpholine (PubChem CID 158060102) has the molecular formula C227H328Cl2F2N6O12S and a molecular weight of 3474.12 g/mol. Its IUPAC name is 3-tert-butylbenzamide;1-tert-butyl-3-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylaniline;2-tert-butyl-1,3-dimethylbenzene;4-tert-butyl-3-ethyl-N,N-dimethylaniline;1-tert-butyl-2-ethyl-4-methoxybenzene;4-tert-butyl-2-fluoro-1-methoxybenzene;1-tert-butyl-2-methoxybenzene;5-tert-butyl-2-methoxypyridine;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-4-methylsulfonylbenzene;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)methanol;1-tert-butyl-2-propan-2-ylbenzene;3-tert-butylpyridine;1-(2-propan-2-ylphenyl)ethanone;4-(4-propan-2-ylphenyl)morpholine.

Molecular Properties

Compound Name3-tert-butylbenzamide;1-tert-butyl-3-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylaniline;2-tert-butyl-1,3-dimethylbenzene;4-tert-butyl-3-ethyl-N,N-dimethylaniline;1-tert-butyl-2-ethyl-4-methoxybenzene;4-tert-butyl-2-fluoro-1-methoxybenzene;1-tert-butyl-2-methoxybenzene;5-tert-butyl-2-methoxypyridine;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-4-methylsulfonylbenzene;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)methanol;1-tert-butyl-2-propan-2-ylbenzene;3-tert-butylpyridine;1-(2-propan-2-ylphenyl)ethanone;4-(4-propan-2-ylphenyl)morpholine
PubChem CID158060102
Molecular FormulaC227H328Cl2F2N6O12S
Molecular Weight3474.12 g/mol
Exact Mass3470.43
IUPAC Name3-tert-butylbenzamide;1-tert-butyl-3-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylaniline;2-tert-butyl-1,3-dimethylbenzene;4-tert-butyl-3-ethyl-N,N-dimethylaniline;1-tert-butyl-2-ethyl-4-methoxybenzene;4-tert-butyl-2-fluoro-1-methoxybenzene;1-tert-butyl-2-methoxybenzene;5-tert-butyl-2-methoxypyridine;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-4-methylsulfonylbenzene;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)methanol;1-tert-butyl-2-propan-2-ylbenzene;3-tert-butylpyridine;1-(2-propan-2-ylphenyl)ethanone;4-(4-propan-2-ylphenyl)morpholine
SMILESCC(=O)c1ccccc1C(C)C.CC(C)(C)c1ccc(CO)cc1.CC(C)(C)c1ccc(F)c(Cl)c1.CC(C)(C)c1ccc(S(C)(=O)=O)cc1.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1cccc(C(N)=O)c1.CC(C)(C)c1cccc(CO)c1.CC(C)(C)c1cccc(Cl)c1.CC(C)(C)c1cccnc1.CC(C)c1ccc(N2CCOCC2)cc1.CC(C)c1ccccc1C(C)(C)C.CCc1cc(N(C)C)ccc1C(C)(C)C.CCc1cc(OC)ccc1C(C)(C)C.CN(C)c1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cc1F.COc1ccc(C(C)(C)C)cn1.COc1ccccc1C(C)(C)C.Cc1cccc(C)c1C(C)(C)C.Cc1ccccc1C(C)(C)C.Cc1ccccc1C(C)(C)C
InChIInChI=1S/C14H23N.C13H19NO.C13H20O.C13H20.C12H19N.C12H16O.C12H18.C11H15FO.C11H15NO.C11H16O2S.3C11H16O.C11H14O.2C11H16.C10H12ClF.C10H13Cl.C10H15NO.C9H13N/c1-7-11-10-12(15(5)6)8-9-13(11)14(2,3)4;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;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)10-4-5-11-9(8-10)6-7-13-11;1-9-7-6-8-10(2)11(9)12(3,4)5;1-11(2,3)8-5-6-10(13-4)9(12)7-8;1-11(2,3)9-6-4-5-8(7-9)10(12)13;1-11(2,3)9-5-7-10(8-6-9)14(4,12)13;1-11(2,3)9-7-5-6-8-10(9)12-4;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;1-8(2)10-6-4-5-7-11(10)9(3)12;2*1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)7-4-5-9(12)8(11)6-7;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;1-9(2,3)8-5-4-6-10-7-8/h8-10H,7H2,1-6H3;3-6,11H,7-10H2,1-2H3;7-9H,6H2,1-5H3;6-10H,1-5H3;6-9H,1-5H3;4-5,8H,6-7H2,1-3H3;6-8H,1-5H3;5-7H,1-4H3;4-7H,1-3H3,(H2,12,13);5-8H,1-4H3;5-8H,1-4H3;2*4-7,12H,8H2,1-3H3;4-8H,1-3H3;2*5-8H,1-4H3;4-6H,1-3H3;4-7H,1-3H3;5-7H,1-4H3;4-7H,1-3H3
InChIKeyFKNNWGZJVBVSGE-UHFFFAOYSA-N
XLogP60.82
TPSA225.64 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds17
Heavy Atoms250
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003474.12
LogP ≤ 560.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 3-tert-butylbenzamide;1-tert-butyl-3-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylaniline;2-tert-butyl-1,3-dimethylbenzene;4-tert-butyl-3-ethyl-N,N-dimethylaniline;1-tert-butyl-2-ethyl-4-methoxybenzene;4-tert-butyl-2-fluoro-1-methoxybenzene;1-tert-butyl-2-methoxybenzene;5-tert-butyl-2-methoxypyridine;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-4-methylsulfonylbenzene;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)methanol;1-tert-butyl-2-propan-2-ylbenzene;3-tert-butylpyridine;1-(2-propan-2-ylphenyl)ethanone;4-(4-propan-2-ylphenyl)morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butylbenzamide;1-tert-butyl-3-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylaniline;2-tert-butyl-1,3-dimethylbenzene;4-tert-butyl-3-ethyl-N,N-dimethylaniline;1-tert-butyl-2-ethyl-4-methoxybenzene;4-tert-butyl-2-fluoro-1-methoxybenzene;1-tert-butyl-2-methoxybenzene;5-tert-butyl-2-methoxypyridine;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-4-methylsulfonylbenzene;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)methanol;1-tert-butyl-2-propan-2-ylbenzene;3-tert-butylpyridine;1-(2-propan-2-ylphenyl)ethanone;4-(4-propan-2-ylphenyl)morpholine?
The IUPAC name of 3-tert-butylbenzamide;1-tert-butyl-3-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylaniline;2-tert-butyl-1,3-dimethylbenzene;4-tert-butyl-3-ethyl-N,N-dimethylaniline;1-tert-butyl-2-ethyl-4-methoxybenzene;4-tert-butyl-2-fluoro-1-methoxybenzene;1-tert-butyl-2-methoxybenzene;5-tert-butyl-2-methoxypyridine;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-4-methylsulfonylbenzene;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)methanol;1-tert-butyl-2-propan-2-ylbenzene;3-tert-butylpyridine;1-(2-propan-2-ylphenyl)ethanone;4-(4-propan-2-ylphenyl)morpholine (CID 158060102) is 3-tert-butylbenzamide;1-tert-butyl-3-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylaniline;2-tert-butyl-1,3-dimethylbenzene;4-tert-butyl-3-ethyl-N,N-dimethylaniline;1-tert-butyl-2-ethyl-4-methoxybenzene;4-tert-butyl-2-fluoro-1-methoxybenzene;1-tert-butyl-2-methoxybenzene;5-tert-butyl-2-methoxypyridine;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-4-methylsulfonylbenzene;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)methanol;1-tert-butyl-2-propan-2-ylbenzene;3-tert-butylpyridine;1-(2-propan-2-ylphenyl)ethanone;4-(4-propan-2-ylphenyl)morpholine.
What is the SMILES notation for 3-tert-butylbenzamide;1-tert-butyl-3-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylaniline;2-tert-butyl-1,3-dimethylbenzene;4-tert-butyl-3-ethyl-N,N-dimethylaniline;1-tert-butyl-2-ethyl-4-methoxybenzene;4-tert-butyl-2-fluoro-1-methoxybenzene;1-tert-butyl-2-methoxybenzene;5-tert-butyl-2-methoxypyridine;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-4-methylsulfonylbenzene;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)methanol;1-tert-butyl-2-propan-2-ylbenzene;3-tert-butylpyridine;1-(2-propan-2-ylphenyl)ethanone;4-(4-propan-2-ylphenyl)morpholine?
The canonical SMILES for 3-tert-butylbenzamide;1-tert-butyl-3-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylaniline;2-tert-butyl-1,3-dimethylbenzene;4-tert-butyl-3-ethyl-N,N-dimethylaniline;1-tert-butyl-2-ethyl-4-methoxybenzene;4-tert-butyl-2-fluoro-1-methoxybenzene;1-tert-butyl-2-methoxybenzene;5-tert-butyl-2-methoxypyridine;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-4-methylsulfonylbenzene;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)methanol;1-tert-butyl-2-propan-2-ylbenzene;3-tert-butylpyridine;1-(2-propan-2-ylphenyl)ethanone;4-(4-propan-2-ylphenyl)morpholine is CC(=O)c1ccccc1C(C)C.CC(C)(C)c1ccc(CO)cc1.CC(C)(C)c1ccc(F)c(Cl)c1.CC(C)(C)c1ccc(S(C)(=O)=O)cc1.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1cccc(C(N)=O)c1.CC(C)(C)c1cccc(CO)c1.CC(C)(C)c1cccc(Cl)c1.CC(C)(C)c1cccnc1.CC(C)c1ccc(N2CCOCC2)cc1.CC(C)c1ccccc1C(C)(C)C.CCc1cc(N(C)C)ccc1C(C)(C)C.CCc1cc(OC)ccc1C(C)(C)C.CN(C)c1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cc1F.COc1ccc(C(C)(C)C)cn1.COc1ccccc1C(C)(C)C.Cc1cccc(C)c1C(C)(C)C.Cc1ccccc1C(C)(C)C.Cc1ccccc1C(C)(C)C.
What is the InChIKey of 3-tert-butylbenzamide;1-tert-butyl-3-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylaniline;2-tert-butyl-1,3-dimethylbenzene;4-tert-butyl-3-ethyl-N,N-dimethylaniline;1-tert-butyl-2-ethyl-4-methoxybenzene;4-tert-butyl-2-fluoro-1-methoxybenzene;1-tert-butyl-2-methoxybenzene;5-tert-butyl-2-methoxypyridine;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-4-methylsulfonylbenzene;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)methanol;1-tert-butyl-2-propan-2-ylbenzene;3-tert-butylpyridine;1-(2-propan-2-ylphenyl)ethanone;4-(4-propan-2-ylphenyl)morpholine?
The InChIKey is FKNNWGZJVBVSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N.C13H19NO.C13H20O.C13H20.C12H19N.C12H16O.C12H18.C11H15FO.C11H15NO.C11H16O2S.3C11H16O.C11H14O.2C11H16.C10H12ClF.C10H13Cl.C10H15NO.C9H13N/c1-7-11-10-12(15(5)6)8-9-13(11)14(2,3)4;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;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)10-4-5-11-9(8-10)6-7-13-11;1-9-7-6-8-10(2)11(9)12(3,4)5;1-11(2,3)8-5-6-10(13-4)9(12)7-8;1-11(2,3)9-6-4-5-8(7-9)10(12)13;1-11(2,3)9-5-7-10(8-6-9)14(4,12)13;1-11(2,3)9-7-5-6-8-10(9)12-4;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;1-8(2)10-6-4-5-7-11(10)9(3)12;2*1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)7-4-5-9(12)8(11)6-7;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;1-9(2,3)8-5-4-6-10-7-8/h8-10H,7H2,1-6H3;3-6,11H,7-10H2,1-2H3;7-9H,6H2,1-5H3;6-10H,1-5H3;6-9H,1-5H3;4-5,8H,6-7H2,1-3H3;6-8H,1-5H3;5-7H,1-4H3;4-7H,1-3H3,(H2,12,13);5-8H,1-4H3;5-8H,1-4H3;2*4-7,12H,8H2,1-3H3;4-8H,1-3H3;2*5-8H,1-4H3;4-6H,1-3H3;4-7H,1-3H3;5-7H,1-4H3;4-7H,1-3H3.
What are the key properties of 3-tert-butylbenzamide;1-tert-butyl-3-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylaniline;2-tert-butyl-1,3-dimethylbenzene;4-tert-butyl-3-ethyl-N,N-dimethylaniline;1-tert-butyl-2-ethyl-4-methoxybenzene;4-tert-butyl-2-fluoro-1-methoxybenzene;1-tert-butyl-2-methoxybenzene;5-tert-butyl-2-methoxypyridine;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-4-methylsulfonylbenzene;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)methanol;1-tert-butyl-2-propan-2-ylbenzene;3-tert-butylpyridine;1-(2-propan-2-ylphenyl)ethanone;4-(4-propan-2-ylphenyl)morpholine?
3-tert-butylbenzamide;1-tert-butyl-3-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylaniline;2-tert-butyl-1,3-dimethylbenzene;4-tert-butyl-3-ethyl-N,N-dimethylaniline;1-tert-butyl-2-ethyl-4-methoxybenzene;4-tert-butyl-2-fluoro-1-methoxybenzene;1-tert-butyl-2-methoxybenzene;5-tert-butyl-2-methoxypyridine;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-4-methylsulfonylbenzene;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)methanol;1-tert-butyl-2-propan-2-ylbenzene;3-tert-butylpyridine;1-(2-propan-2-ylphenyl)ethanone;4-(4-propan-2-ylphenyl)morpholine has a molecular weight of 3474.12 g/mol, XLogP of 60.82, 17 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylbenzamide;1-tert-butyl-3-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylaniline;2-tert-butyl-1,3-dimethylbenzene;4-tert-butyl-3-ethyl-N,N-dimethylaniline;1-tert-butyl-2-ethyl-4-methoxybenzene;4-tert-butyl-2-fluoro-1-methoxybenzene;1-tert-butyl-2-methoxybenzene;5-tert-butyl-2-methoxypyridine;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-4-methylsulfonylbenzene;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)methanol;1-tert-butyl-2-propan-2-ylbenzene;3-tert-butylpyridine;1-(2-propan-2-ylphenyl)ethanone;4-(4-propan-2-ylphenyl)morpholine is sourced from PubChem (CID 158060102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).