tert-butylbenzene;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-4-ethylbenzene;1-tert-butyl-2-ethyl-4-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)-methyl-methylidene-oxo-λ6-sulfane;1-tert-butyl-2-propan-2-ylbenzene;8-tert-butylquinoline;1-(2-propan-2-ylphenyl)ethanone

C232H331Cl2N3O8S — CID 158631795

IUPACtert-butylbenzene;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-4-ethylbenzene;1-tert-butyl-2-ethyl-4-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)-methyl-methylidene-oxo-λ6-sulfane;1-tert-butyl-2-propan-2-ylbenzene;8-tert-butylquinoline;1-(2-propan-2-ylphenyl)ethanone
SMILESC=S(C)(=O)c1ccc(C(C)(C)C)cc1.CC(=O)c1ccccc1C(C)C.CC(C)(C)c1cc2ccccc2o1.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)c1ccccc1.CC(C)c1ccccc1C(C)(C)C.CCc1cc(OC)ccc1C(C)(C)C.CCc1ccc(C(C)(C)C)cc1.CN(C)Cc1ccccc1C(C)(C)C.CN(C)c1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cc1.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.Cc1ccccc1C(C)(C)C
InChIInChI=1S/C13H15N.C13H21N.C13H20O.C13H20.C12H19N.C12H18OS.C12H16O.C12H14O.3C12H18.C11H15Cl.2C11H16O.C11H14O.2C11H16.C10H13Cl.C10H14O.C10H14/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;1-6-10-9-11(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;1-9-6-7-11(10(2)8-9)12(3,4)5;1-9-7-6-8-10(2)11(9)12(3,4)5;1-5-10-6-8-11(9-7-10)12(2,3)4;1-8-9(11(2,3)4)6-5-7-10(8)12;1-11(2,3)9-5-7-10(12-4)8-6-9;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;1-9-6-5-7-10(8-9)11(2,3)4;1-9-7-5-6-8-10(9)11(2,3)4;2*1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)9-7-5-4-6-8-9/h4-9H,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;2*6-8H,1-5H3;6-9H,5H2,1-4H3;5-7H,1-4H3;5-8H,1-4H3;4-7,12H,8H2,1-3H3;4-8H,1-3H3;2*5-8H,1-4H3;4-7H,1-3H3;4-7,11H,1-3H3;4-8H,1-3H3
InChIKeyHZHBVQDOSMAETI-UHFFFAOYSA-N
MW3393.19 g/mol
LogP65.70
Rot. Bonds12

About tert-butylbenzene;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-4-ethylbenzene;1-tert-butyl-2-ethyl-4-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)-methyl-methylidene-oxo-λ6-sulfane;1-tert-butyl-2-propan-2-ylbenzene;8-tert-butylquinoline;1-(2-propan-2-ylphenyl)ethanone

tert-butylbenzene;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-4-ethylbenzene;1-tert-butyl-2-ethyl-4-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)-methyl-methylidene-oxo-λ6-sulfane;1-tert-butyl-2-propan-2-ylbenzene;8-tert-butylquinoline;1-(2-propan-2-ylphenyl)ethanone (PubChem CID 158631795) has the molecular formula C232H331Cl2N3O8S and a molecular weight of 3393.19 g/mol. Its IUPAC name is tert-butylbenzene;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-4-ethylbenzene;1-tert-butyl-2-ethyl-4-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)-methyl-methylidene-oxo-λ6-sulfane;1-tert-butyl-2-propan-2-ylbenzene;8-tert-butylquinoline;1-(2-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Nametert-butylbenzene;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-4-ethylbenzene;1-tert-butyl-2-ethyl-4-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)-methyl-methylidene-oxo-λ6-sulfane;1-tert-butyl-2-propan-2-ylbenzene;8-tert-butylquinoline;1-(2-propan-2-ylphenyl)ethanone
PubChem CID158631795
Molecular FormulaC232H331Cl2N3O8S
Molecular Weight3393.19 g/mol
Exact Mass3389.47
IUPAC Nametert-butylbenzene;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-4-ethylbenzene;1-tert-butyl-2-ethyl-4-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)-methyl-methylidene-oxo-λ6-sulfane;1-tert-butyl-2-propan-2-ylbenzene;8-tert-butylquinoline;1-(2-propan-2-ylphenyl)ethanone
SMILESC=S(C)(=O)c1ccc(C(C)(C)C)cc1.CC(=O)c1ccccc1C(C)C.CC(C)(C)c1cc2ccccc2o1.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)c1ccccc1.CC(C)c1ccccc1C(C)(C)C.CCc1cc(OC)ccc1C(C)(C)C.CCc1ccc(C(C)(C)C)cc1.CN(C)Cc1ccccc1C(C)(C)C.CN(C)c1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cc1.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.Cc1ccccc1C(C)(C)C
InChIInChI=1S/C13H15N.C13H21N.C13H20O.C13H20.C12H19N.C12H18OS.C12H16O.C12H14O.3C12H18.C11H15Cl.2C11H16O.C11H14O.2C11H16.C10H13Cl.C10H14O.C10H14/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;1-6-10-9-11(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;1-9-6-7-11(10(2)8-9)12(3,4)5;1-9-7-6-8-10(2)11(9)12(3,4)5;1-5-10-6-8-11(9-7-10)12(2,3)4;1-8-9(11(2,3)4)6-5-7-10(8)12;1-11(2,3)9-5-7-10(12-4)8-6-9;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;1-9-6-5-7-10(8-9)11(2,3)4;1-9-7-5-6-8-10(9)11(2,3)4;2*1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)9-7-5-4-6-8-9/h4-9H,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;2*6-8H,1-5H3;6-9H,5H2,1-4H3;5-7H,1-4H3;5-8H,1-4H3;4-7,12H,8H2,1-3H3;4-8H,1-3H3;2*5-8H,1-4H3;4-7H,1-3H3;4-7,11H,1-3H3;4-8H,1-3H3
InChIKeyHZHBVQDOSMAETI-UHFFFAOYSA-N
XLogP65.70
TPSA134.80 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms246
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003393.19
LogP ≤ 565.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze tert-butylbenzene;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-4-ethylbenzene;1-tert-butyl-2-ethyl-4-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)-methyl-methylidene-oxo-λ6-sulfane;1-tert-butyl-2-propan-2-ylbenzene;8-tert-butylquinoline;1-(2-propan-2-ylphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;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-4-ethylbenzene;1-tert-butyl-2-ethyl-4-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)-methyl-methylidene-oxo-λ6-sulfane;1-tert-butyl-2-propan-2-ylbenzene;8-tert-butylquinoline;1-(2-propan-2-ylphenyl)ethanone?
The IUPAC name of tert-butylbenzene;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-4-ethylbenzene;1-tert-butyl-2-ethyl-4-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)-methyl-methylidene-oxo-λ6-sulfane;1-tert-butyl-2-propan-2-ylbenzene;8-tert-butylquinoline;1-(2-propan-2-ylphenyl)ethanone (CID 158631795) is tert-butylbenzene;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-4-ethylbenzene;1-tert-butyl-2-ethyl-4-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)-methyl-methylidene-oxo-λ6-sulfane;1-tert-butyl-2-propan-2-ylbenzene;8-tert-butylquinoline;1-(2-propan-2-ylphenyl)ethanone.
What is the SMILES notation for tert-butylbenzene;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-4-ethylbenzene;1-tert-butyl-2-ethyl-4-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)-methyl-methylidene-oxo-λ6-sulfane;1-tert-butyl-2-propan-2-ylbenzene;8-tert-butylquinoline;1-(2-propan-2-ylphenyl)ethanone?
The canonical SMILES for tert-butylbenzene;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-4-ethylbenzene;1-tert-butyl-2-ethyl-4-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)-methyl-methylidene-oxo-λ6-sulfane;1-tert-butyl-2-propan-2-ylbenzene;8-tert-butylquinoline;1-(2-propan-2-ylphenyl)ethanone is C=S(C)(=O)c1ccc(C(C)(C)C)cc1.CC(=O)c1ccccc1C(C)C.CC(C)(C)c1cc2ccccc2o1.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)c1ccccc1.CC(C)c1ccccc1C(C)(C)C.CCc1cc(OC)ccc1C(C)(C)C.CCc1ccc(C(C)(C)C)cc1.CN(C)Cc1ccccc1C(C)(C)C.CN(C)c1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cc1.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.Cc1ccccc1C(C)(C)C.
What is the InChIKey of tert-butylbenzene;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-4-ethylbenzene;1-tert-butyl-2-ethyl-4-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)-methyl-methylidene-oxo-λ6-sulfane;1-tert-butyl-2-propan-2-ylbenzene;8-tert-butylquinoline;1-(2-propan-2-ylphenyl)ethanone?
The InChIKey is HZHBVQDOSMAETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N.C13H21N.C13H20O.C13H20.C12H19N.C12H18OS.C12H16O.C12H14O.3C12H18.C11H15Cl.2C11H16O.C11H14O.2C11H16.C10H13Cl.C10H14O.C10H14/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;1-6-10-9-11(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;1-9-6-7-11(10(2)8-9)12(3,4)5;1-9-7-6-8-10(2)11(9)12(3,4)5;1-5-10-6-8-11(9-7-10)12(2,3)4;1-8-9(11(2,3)4)6-5-7-10(8)12;1-11(2,3)9-5-7-10(12-4)8-6-9;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;1-9-6-5-7-10(8-9)11(2,3)4;1-9-7-5-6-8-10(9)11(2,3)4;2*1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)9-7-5-4-6-8-9/h4-9H,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;2*6-8H,1-5H3;6-9H,5H2,1-4H3;5-7H,1-4H3;5-8H,1-4H3;4-7,12H,8H2,1-3H3;4-8H,1-3H3;2*5-8H,1-4H3;4-7H,1-3H3;4-7,11H,1-3H3;4-8H,1-3H3.
What are the key properties of tert-butylbenzene;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-4-ethylbenzene;1-tert-butyl-2-ethyl-4-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)-methyl-methylidene-oxo-λ6-sulfane;1-tert-butyl-2-propan-2-ylbenzene;8-tert-butylquinoline;1-(2-propan-2-ylphenyl)ethanone?
tert-butylbenzene;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-4-ethylbenzene;1-tert-butyl-2-ethyl-4-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)-methyl-methylidene-oxo-λ6-sulfane;1-tert-butyl-2-propan-2-ylbenzene;8-tert-butylquinoline;1-(2-propan-2-ylphenyl)ethanone has a molecular weight of 3393.19 g/mol, XLogP of 65.70, 12 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;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-4-ethylbenzene;1-tert-butyl-2-ethyl-4-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanol;(4-tert-butylphenyl)-methyl-methylidene-oxo-λ6-sulfane;1-tert-butyl-2-propan-2-ylbenzene;8-tert-butylquinoline;1-(2-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 158631795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).