1-tert-butyl-2-chlorobenzene;1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;2-tert-butyl-1,3-dichlorobenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);(3-tert-butyl-4-methoxy-2-pyridinyl)methanol;tris(1-tert-butyl-2-methylbenzene);tris(1-tert-butyl-3-methylbenzene);1-(3-tert-butylphenyl)ethanone;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene

C196H274Cl5F6N3O3 — CID 160877218

IUPAC1-tert-butyl-2-chlorobenzene;1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;2-tert-butyl-1,3-dichlorobenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);(3-tert-butyl-4-methoxy-2-pyridinyl)methanol;tris(1-tert-butyl-2-methylbenzene);tris(1-tert-butyl-3-methylbenzene);1-(3-tert-butylphenyl)ethanone;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene
SMILESCC(=O)c1cccc(C(C)(C)C)c1.CC(C)(C)c1c(Cl)cccc1Cl.CC(C)(C)c1ccc(F)cc1Cl.CC(C)(C)c1cccc(C(F)(F)F)c1.CC(C)(C)c1ccccc1Cl.CC(C)(C)c1ccncc1.CN(C)c1ccc(C(C)(C)C)cc1.COc1ccnc(CO)c1C(C)(C)C.Cc1cc(C(C)(C)C)ccc1F.Cc1cc(C(C)(C)C)ccc1F.Cc1cc(Cl)cc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1C.Cc1ccccc1C(C)(C)C.Cc1ccccc1C(C)(C)C.Cc1ccccc1C(C)(C)C
InChIInChI=1S/C12H19N.C12H16O.C12H18.C11H15Cl.C11H13F3.2C11H15F.C11H17NO2.6C11H16.C10H12Cl2.C10H12ClF.C10H13Cl.C9H13N/c1-12(2,3)10-6-8-11(9-7-10)13(4)5;1-9(13)10-6-5-7-11(8-10)12(2,3)4;1-9-7-6-8-11(10(9)2)12(3,4)5;1-8-5-9(11(2,3)4)7-10(12)6-8;1-10(2,3)8-5-4-6-9(7-8)11(12,13)14;2*1-8-7-9(11(2,3)4)5-6-10(8)12;1-11(2,3)10-8(7-13)12-6-5-9(10)14-4;3*1-9-6-5-7-10(8-9)11(2,3)4;3*1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)9-7(11)5-4-6-8(9)12;1-10(2,3)8-5-4-7(12)6-9(8)11;1-10(2,3)8-6-4-5-7-9(8)11;1-9(2,3)8-4-6-10-7-5-8/h6-9H,1-5H3;5-8H,1-4H3;6-8H,1-5H3;5-7H,1-4H3;4-7H,1-3H3;2*5-7H,1-4H3;5-6,13H,7H2,1-4H3;6*5-8H,1-4H3;2*4-6H,1-3H3;4-7H,1-3H3;4-7H,1-3H3
InChIKeySMOCJQWYGYTPTC-UHFFFAOYSA-N
MW3011.62 g/mol
LogP60.37
Rot. Bonds4

About 1-tert-butyl-2-chlorobenzene;1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;2-tert-butyl-1,3-dichlorobenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);(3-tert-butyl-4-methoxy-2-pyridinyl)methanol;tris(1-tert-butyl-2-methylbenzene);tris(1-tert-butyl-3-methylbenzene);1-(3-tert-butylphenyl)ethanone;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene

1-tert-butyl-2-chlorobenzene;1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;2-tert-butyl-1,3-dichlorobenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);(3-tert-butyl-4-methoxy-2-pyridinyl)methanol;tris(1-tert-butyl-2-methylbenzene);tris(1-tert-butyl-3-methylbenzene);1-(3-tert-butylphenyl)ethanone;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene (PubChem CID 160877218) has the molecular formula C196H274Cl5F6N3O3 and a molecular weight of 3011.62 g/mol. Its IUPAC name is 1-tert-butyl-2-chlorobenzene;1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;2-tert-butyl-1,3-dichlorobenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);(3-tert-butyl-4-methoxy-2-pyridinyl)methanol;tris(1-tert-butyl-2-methylbenzene);tris(1-tert-butyl-3-methylbenzene);1-(3-tert-butylphenyl)ethanone;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-tert-butyl-2-chlorobenzene;1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;2-tert-butyl-1,3-dichlorobenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);(3-tert-butyl-4-methoxy-2-pyridinyl)methanol;tris(1-tert-butyl-2-methylbenzene);tris(1-tert-butyl-3-methylbenzene);1-(3-tert-butylphenyl)ethanone;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene
PubChem CID160877218
Molecular FormulaC196H274Cl5F6N3O3
Molecular Weight3011.62 g/mol
Exact Mass3006.97
IUPAC Name1-tert-butyl-2-chlorobenzene;1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;2-tert-butyl-1,3-dichlorobenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);(3-tert-butyl-4-methoxy-2-pyridinyl)methanol;tris(1-tert-butyl-2-methylbenzene);tris(1-tert-butyl-3-methylbenzene);1-(3-tert-butylphenyl)ethanone;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene
SMILESCC(=O)c1cccc(C(C)(C)C)c1.CC(C)(C)c1c(Cl)cccc1Cl.CC(C)(C)c1ccc(F)cc1Cl.CC(C)(C)c1cccc(C(F)(F)F)c1.CC(C)(C)c1ccccc1Cl.CC(C)(C)c1ccncc1.CN(C)c1ccc(C(C)(C)C)cc1.COc1ccnc(CO)c1C(C)(C)C.Cc1cc(C(C)(C)C)ccc1F.Cc1cc(C(C)(C)C)ccc1F.Cc1cc(Cl)cc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1C.Cc1ccccc1C(C)(C)C.Cc1ccccc1C(C)(C)C.Cc1ccccc1C(C)(C)C
InChIInChI=1S/C12H19N.C12H16O.C12H18.C11H15Cl.C11H13F3.2C11H15F.C11H17NO2.6C11H16.C10H12Cl2.C10H12ClF.C10H13Cl.C9H13N/c1-12(2,3)10-6-8-11(9-7-10)13(4)5;1-9(13)10-6-5-7-11(8-10)12(2,3)4;1-9-7-6-8-11(10(9)2)12(3,4)5;1-8-5-9(11(2,3)4)7-10(12)6-8;1-10(2,3)8-5-4-6-9(7-8)11(12,13)14;2*1-8-7-9(11(2,3)4)5-6-10(8)12;1-11(2,3)10-8(7-13)12-6-5-9(10)14-4;3*1-9-6-5-7-10(8-9)11(2,3)4;3*1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)9-7(11)5-4-6-8(9)12;1-10(2,3)8-5-4-7(12)6-9(8)11;1-10(2,3)8-6-4-5-7-9(8)11;1-9(2,3)8-4-6-10-7-5-8/h6-9H,1-5H3;5-8H,1-4H3;6-8H,1-5H3;5-7H,1-4H3;4-7H,1-3H3;2*5-7H,1-4H3;5-6,13H,7H2,1-4H3;6*5-8H,1-4H3;2*4-6H,1-3H3;4-7H,1-3H3;4-7H,1-3H3
InChIKeySMOCJQWYGYTPTC-UHFFFAOYSA-N
XLogP60.37
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms213
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003011.62
LogP ≤ 560.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-tert-butyl-2-chlorobenzene;1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;2-tert-butyl-1,3-dichlorobenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);(3-tert-butyl-4-methoxy-2-pyridinyl)methanol;tris(1-tert-butyl-2-methylbenzene);tris(1-tert-butyl-3-methylbenzene);1-(3-tert-butylphenyl)ethanone;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene with MolForge

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Launch Full Analysis

Related Compounds

1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3,5-dichlorobenzene;2-tert-butyl-1,3-dichlorobenzene;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;1-tert-butyl-2-fluorobenzene;(3-tert-butyl-4-methoxy-2-pyridinyl)methanol;(5-tert-butyl-6-methoxypyrimidin-4-yl)methanol;1-(3-tert-butylphenyl)ethanone;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-2-(trifluoromethyl)benzene;1-tert-butyl-3-(trifluoromethyl)benzene
CID 157389170
2-tert-butyl-1-chloro-3-methylbenzene;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;tris(1-tert-butyl-2-methylbenzene);(4-tert-butyl-5-methyl-3-pyridinyl)methanol;1-(3-tert-butylphenyl)ethanone;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene
CID 157397374
2-Chloro-4-fluoro-1-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;1-hydroxy-3-propan-2-ylpyridin-1-ium;methane;1-methoxy-4-propan-2-ylbenzene;1-propan-2-yl-2,4-bis(trifluoromethyl)benzene;5-propan-2-ylpyridine-2-carboxylic acid
CID 157548413
2-chloro-4-methyl-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;cumene;1-cyclohexyl-2-methylpropan-1-one;1-cyclopropyl-2-methylpropan-1-one;1,3-dichloro-2-propan-2-ylbenzene;1-fluoro-2-propan-2-yloxybenzene;methane;2-methyl-1-phenylpropan-1-one;N-methyl-N-propan-2-ylaniline;1-methyl-2-propan-2-ylbenzene;2-methylpropylbenzene;3-(2-methylpropyl)pyridine;propan-2-ylcyclopentane;propan-2-yloxybenzene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-propan-2-yl-2-(trifluoromethyl)benzene
CID 157814443
4-Chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);1-hydroxy-3-propan-2-ylpyridin-1-ium;1-methoxy-4-propan-2-ylbenzene;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-ylpyridine-2-carboxylic acid
CID 158988426
2-Chloro-4-fluoro-1-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;1-hydroxy-3-propan-2-ylpyridin-1-ium;1-methoxy-4-propan-2-ylbenzene;1-propan-2-yl-2,4-bis(trifluoromethyl)benzene;5-propan-2-ylpyridine-2-carboxylic acid
CID 159053492
1-tert-butyl-2-chlorobenzene;1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;bis(1-tert-butyl-2-methylbenzene);bis(1-tert-butyl-3-methylbenzene);(3-tert-butyl-4-methyl-2-pyridinyl)methanol;1-(3-tert-butylphenyl)ethanone;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene
CID 159392950
1-benzyl-2-tert-butylbenzene;tert-butylbenzene;2-tert-butyl-1-chloro-4-fluoro-3-methylbenzene;1-tert-butyl-2,4-dimethylbenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-3-fluoro-2-methylbenzene;1-tert-butyl-4-fluoro-2-methylbenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-4-methoxy-2-methylbenzene;tetrakis(1-tert-butyl-2-methylbenzene);4-tert-butylphenol;4-(4-tert-butylphenyl)pyridine;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;3-tert-butyl-N,N,4-trimethylaniline;methyl 4-tert-butylbenzoate
CID 160025906
1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;2-tert-butyl-1,3-dichlorobenzene;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;2-tert-butyl-1-fluoro-3-methylbenzene;4-tert-butyl-3-fluoro-5-methylpyridine;tetrakis(1-tert-butyl-2-methylbenzene);1-tert-butyl-3-methylbenzene;(3-tert-butyl-4-methyl-2-pyridinyl)methanol;1-(3-tert-butylphenyl)ethanone;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene
CID 161316424
2-Chloro-4-fluoro-1-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-hydroxy-3-propan-2-ylpyridin-1-ium;1-methoxy-4-propan-2-ylbenzene;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-ylpyridine-2-carboxylic acid
CID 161992945
tert-butylbenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-3-methoxybenzene;(4-tert-butylphenyl)methanol;1-(3-tert-butylphenyl)propan-2-one;3-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene;methane
CID 162154521
2-Chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);1-hydroxy-3-propan-2-ylpyridin-1-ium;1-methoxy-4-propan-2-ylbenzene;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-ylpyridine-2-carboxylic acid
CID 162159915

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-chlorobenzene;1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;2-tert-butyl-1,3-dichlorobenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);(3-tert-butyl-4-methoxy-2-pyridinyl)methanol;tris(1-tert-butyl-2-methylbenzene);tris(1-tert-butyl-3-methylbenzene);1-(3-tert-butylphenyl)ethanone;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene?
The IUPAC name of 1-tert-butyl-2-chlorobenzene;1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;2-tert-butyl-1,3-dichlorobenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);(3-tert-butyl-4-methoxy-2-pyridinyl)methanol;tris(1-tert-butyl-2-methylbenzene);tris(1-tert-butyl-3-methylbenzene);1-(3-tert-butylphenyl)ethanone;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene (CID 160877218) is 1-tert-butyl-2-chlorobenzene;1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;2-tert-butyl-1,3-dichlorobenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);(3-tert-butyl-4-methoxy-2-pyridinyl)methanol;tris(1-tert-butyl-2-methylbenzene);tris(1-tert-butyl-3-methylbenzene);1-(3-tert-butylphenyl)ethanone;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-tert-butyl-2-chlorobenzene;1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;2-tert-butyl-1,3-dichlorobenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);(3-tert-butyl-4-methoxy-2-pyridinyl)methanol;tris(1-tert-butyl-2-methylbenzene);tris(1-tert-butyl-3-methylbenzene);1-(3-tert-butylphenyl)ethanone;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-tert-butyl-2-chlorobenzene;1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;2-tert-butyl-1,3-dichlorobenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);(3-tert-butyl-4-methoxy-2-pyridinyl)methanol;tris(1-tert-butyl-2-methylbenzene);tris(1-tert-butyl-3-methylbenzene);1-(3-tert-butylphenyl)ethanone;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene is CC(=O)c1cccc(C(C)(C)C)c1.CC(C)(C)c1c(Cl)cccc1Cl.CC(C)(C)c1ccc(F)cc1Cl.CC(C)(C)c1cccc(C(F)(F)F)c1.CC(C)(C)c1ccccc1Cl.CC(C)(C)c1ccncc1.CN(C)c1ccc(C(C)(C)C)cc1.COc1ccnc(CO)c1C(C)(C)C.Cc1cc(C(C)(C)C)ccc1F.Cc1cc(C(C)(C)C)ccc1F.Cc1cc(Cl)cc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1C.Cc1ccccc1C(C)(C)C.Cc1ccccc1C(C)(C)C.Cc1ccccc1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-chlorobenzene;1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;2-tert-butyl-1,3-dichlorobenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);(3-tert-butyl-4-methoxy-2-pyridinyl)methanol;tris(1-tert-butyl-2-methylbenzene);tris(1-tert-butyl-3-methylbenzene);1-(3-tert-butylphenyl)ethanone;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene?
The InChIKey is SMOCJQWYGYTPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N.C12H16O.C12H18.C11H15Cl.C11H13F3.2C11H15F.C11H17NO2.6C11H16.C10H12Cl2.C10H12ClF.C10H13Cl.C9H13N/c1-12(2,3)10-6-8-11(9-7-10)13(4)5;1-9(13)10-6-5-7-11(8-10)12(2,3)4;1-9-7-6-8-11(10(9)2)12(3,4)5;1-8-5-9(11(2,3)4)7-10(12)6-8;1-10(2,3)8-5-4-6-9(7-8)11(12,13)14;2*1-8-7-9(11(2,3)4)5-6-10(8)12;1-11(2,3)10-8(7-13)12-6-5-9(10)14-4;3*1-9-6-5-7-10(8-9)11(2,3)4;3*1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)9-7(11)5-4-6-8(9)12;1-10(2,3)8-5-4-7(12)6-9(8)11;1-10(2,3)8-6-4-5-7-9(8)11;1-9(2,3)8-4-6-10-7-5-8/h6-9H,1-5H3;5-8H,1-4H3;6-8H,1-5H3;5-7H,1-4H3;4-7H,1-3H3;2*5-7H,1-4H3;5-6,13H,7H2,1-4H3;6*5-8H,1-4H3;2*4-6H,1-3H3;4-7H,1-3H3;4-7H,1-3H3.
What are the key properties of 1-tert-butyl-2-chlorobenzene;1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;2-tert-butyl-1,3-dichlorobenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);(3-tert-butyl-4-methoxy-2-pyridinyl)methanol;tris(1-tert-butyl-2-methylbenzene);tris(1-tert-butyl-3-methylbenzene);1-(3-tert-butylphenyl)ethanone;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene?
1-tert-butyl-2-chlorobenzene;1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;2-tert-butyl-1,3-dichlorobenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);(3-tert-butyl-4-methoxy-2-pyridinyl)methanol;tris(1-tert-butyl-2-methylbenzene);tris(1-tert-butyl-3-methylbenzene);1-(3-tert-butylphenyl)ethanone;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene has a molecular weight of 3011.62 g/mol, XLogP of 60.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-chlorobenzene;1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;2-tert-butyl-1,3-dichlorobenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);(3-tert-butyl-4-methoxy-2-pyridinyl)methanol;tris(1-tert-butyl-2-methylbenzene);tris(1-tert-butyl-3-methylbenzene);1-(3-tert-butylphenyl)ethanone;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene is sourced from PubChem (CID 160877218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).