1-bromo-3-butan-2-ylbenzene;6-butan-2-yl-1-benzofuran;5-butan-2-yl-1-benzothiophene;4-butan-2-yl-9H-carbazole;1-butan-2-yl-4-chlorobenzene;4-butan-2-yl-1,2-dichlorobenzene;bis(4-butan-2-yl-1,2-dimethylbenzene);1-butan-2-yl-4-methoxybenzene;1-(3-butan-2-ylphenyl)ethanone;1-(3-butan-2-ylphenyl)-2-hydroxyethanone;(3-butan-2-ylphenyl)methanol;5-butan-2-yl-1,2,3,4-tetrahydronaphthalene;2-chlorobutan-2-ylbenzene;ethane;methane;2-methylbutan-2-ylbenzene;methyl 3-butan-2-yl-5-(2-hydroxyacetyl)benzoate;2-methyl-2-phenylbutanenitrile;(1,1,1-trifluoro-2-methylbutan-2-yl)benzene

C259H432BrCl4F3N2O10S — CID 164962465

IUPAC1-bromo-3-butan-2-ylbenzene;6-butan-2-yl-1-benzofuran;5-butan-2-yl-1-benzothiophene;4-butan-2-yl-9H-carbazole;1-butan-2-yl-4-chlorobenzene;4-butan-2-yl-1,2-dichlorobenzene;bis(4-butan-2-yl-1,2-dimethylbenzene);1-butan-2-yl-4-methoxybenzene;1-(3-butan-2-ylphenyl)ethanone;1-(3-butan-2-ylphenyl)-2-hydroxyethanone;(3-butan-2-ylphenyl)methanol;5-butan-2-yl-1,2,3,4-tetrahydronaphthalene;2-chlorobutan-2-ylbenzene;ethane;methane;2-methylbutan-2-ylbenzene;methyl 3-butan-2-yl-5-(2-hydroxyacetyl)benzoate;2-methyl-2-phenylbutanenitrile;(1,1,1-trifluoro-2-methylbutan-2-yl)benzene
SMILESC.C.C.C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC(C)(C#N)c1ccccc1.CCC(C)(C)c1ccccc1.CCC(C)(Cl)c1ccccc1.CCC(C)(c1ccccc1)C(F)(F)F.CCC(C)c1cc(C(=O)CO)cc(C(=O)OC)c1.CCC(C)c1ccc(C)c(C)c1.CCC(C)c1ccc(C)c(C)c1.CCC(C)c1ccc(Cl)c(Cl)c1.CCC(C)c1ccc(Cl)cc1.CCC(C)c1ccc(OC)cc1.CCC(C)c1ccc2ccoc2c1.CCC(C)c1ccc2sccc2c1.CCC(C)c1cccc(Br)c1.CCC(C)c1cccc(C(=O)CO)c1.CCC(C)c1cccc(C(C)=O)c1.CCC(C)c1cccc(CO)c1.CCC(C)c1cccc2[nH]c3ccccc3c12.CCC(C)c1cccc2c1CCCC2
InChIInChI=1S/C16H17N.C14H18O4.C14H20.C12H16O2.C12H14O.C12H16O.C12H14S.2C12H18.C11H13F3.C11H13N.2C11H16O.C11H16.C10H13Br.C10H12Cl2.2C10H13Cl.18C2H6.12CH4/c1-3-11(2)12-8-6-10-15-16(12)13-7-4-5-9-14(13)17-15;1-4-9(2)10-5-11(13(16)8-15)7-12(6-10)14(17)18-3;1-3-11(2)13-10-6-8-12-7-4-5-9-14(12)13;1-3-9(2)10-5-4-6-11(7-10)12(14)8-13;1-3-9(2)11-5-4-10-6-7-13-12(10)8-11;1-4-9(2)11-6-5-7-12(8-11)10(3)13;1-3-9(2)10-4-5-12-11(8-10)6-7-13-12;2*1-5-9(2)12-7-6-10(3)11(4)8-12;1-3-10(2,11(12,13)14)9-7-5-4-6-8-9;1-3-11(2,9-12)10-7-5-4-6-8-10;1-4-9(2)10-5-7-11(12-3)8-6-10;1-3-9(2)11-6-4-5-10(7-11)8-12;1-4-11(2,3)10-8-6-5-7-9-10;1-3-8(2)9-5-4-6-10(11)7-9;1-3-7(2)8-4-5-9(11)10(12)6-8;1-3-8(2)9-4-6-10(11)7-5-9;1-3-10(2,11)9-7-5-4-6-8-9;18*1-2;;;;;;;;;;;;/h4-11,17H,3H2,1-2H3;5-7,9,15H,4,8H2,1-3H3;6,8,10-11H,3-5,7,9H2,1-2H3;4-7,9,13H,3,8H2,1-2H3;4-9H,3H2,1-2H3;5-9H,4H2,1-3H3;4-9H,3H2,1-2H3;2*6-9H,5H2,1-4H3;4-8H,3H2,1-2H3;4-8H,3H2,1-2H3;5-9H,4H2,1-3H3;4-7,9,12H,3,8H2,1-2H3;5-9H,4H2,1-3H3;4-8H,3H2,1-2H3;4-7H,3H2,1-2H3;2*4-8H,3H2,1-2H3;18*1-2H3;12*1H4
InChIKeyCAJVUQYYVAGBDE-UHFFFAOYSA-N
MW4045.09 g/mol
LogP90.90
Rot. Bonds44

About 1-bromo-3-butan-2-ylbenzene;6-butan-2-yl-1-benzofuran;5-butan-2-yl-1-benzothiophene;4-butan-2-yl-9H-carbazole;1-butan-2-yl-4-chlorobenzene;4-butan-2-yl-1,2-dichlorobenzene;bis(4-butan-2-yl-1,2-dimethylbenzene);1-butan-2-yl-4-methoxybenzene;1-(3-butan-2-ylphenyl)ethanone;1-(3-butan-2-ylphenyl)-2-hydroxyethanone;(3-butan-2-ylphenyl)methanol;5-butan-2-yl-1,2,3,4-tetrahydronaphthalene;2-chlorobutan-2-ylbenzene;ethane;methane;2-methylbutan-2-ylbenzene;methyl 3-butan-2-yl-5-(2-hydroxyacetyl)benzoate;2-methyl-2-phenylbutanenitrile;(1,1,1-trifluoro-2-methylbutan-2-yl)benzene

1-bromo-3-butan-2-ylbenzene;6-butan-2-yl-1-benzofuran;5-butan-2-yl-1-benzothiophene;4-butan-2-yl-9H-carbazole;1-butan-2-yl-4-chlorobenzene;4-butan-2-yl-1,2-dichlorobenzene;bis(4-butan-2-yl-1,2-dimethylbenzene);1-butan-2-yl-4-methoxybenzene;1-(3-butan-2-ylphenyl)ethanone;1-(3-butan-2-ylphenyl)-2-hydroxyethanone;(3-butan-2-ylphenyl)methanol;5-butan-2-yl-1,2,3,4-tetrahydronaphthalene;2-chlorobutan-2-ylbenzene;ethane;methane;2-methylbutan-2-ylbenzene;methyl 3-butan-2-yl-5-(2-hydroxyacetyl)benzoate;2-methyl-2-phenylbutanenitrile;(1,1,1-trifluoro-2-methylbutan-2-yl)benzene (PubChem CID 164962465) has the molecular formula C259H432BrCl4F3N2O10S and a molecular weight of 4045.09 g/mol. Its IUPAC name is 1-bromo-3-butan-2-ylbenzene;6-butan-2-yl-1-benzofuran;5-butan-2-yl-1-benzothiophene;4-butan-2-yl-9H-carbazole;1-butan-2-yl-4-chlorobenzene;4-butan-2-yl-1,2-dichlorobenzene;bis(4-butan-2-yl-1,2-dimethylbenzene);1-butan-2-yl-4-methoxybenzene;1-(3-butan-2-ylphenyl)ethanone;1-(3-butan-2-ylphenyl)-2-hydroxyethanone;(3-butan-2-ylphenyl)methanol;5-butan-2-yl-1,2,3,4-tetrahydronaphthalene;2-chlorobutan-2-ylbenzene;ethane;methane;2-methylbutan-2-ylbenzene;methyl 3-butan-2-yl-5-(2-hydroxyacetyl)benzoate;2-methyl-2-phenylbutanenitrile;(1,1,1-trifluoro-2-methylbutan-2-yl)benzene.

Molecular Properties

Compound Name1-bromo-3-butan-2-ylbenzene;6-butan-2-yl-1-benzofuran;5-butan-2-yl-1-benzothiophene;4-butan-2-yl-9H-carbazole;1-butan-2-yl-4-chlorobenzene;4-butan-2-yl-1,2-dichlorobenzene;bis(4-butan-2-yl-1,2-dimethylbenzene);1-butan-2-yl-4-methoxybenzene;1-(3-butan-2-ylphenyl)ethanone;1-(3-butan-2-ylphenyl)-2-hydroxyethanone;(3-butan-2-ylphenyl)methanol;5-butan-2-yl-1,2,3,4-tetrahydronaphthalene;2-chlorobutan-2-ylbenzene;ethane;methane;2-methylbutan-2-ylbenzene;methyl 3-butan-2-yl-5-(2-hydroxyacetyl)benzoate;2-methyl-2-phenylbutanenitrile;(1,1,1-trifluoro-2-methylbutan-2-yl)benzene
PubChem CID164962465
Molecular FormulaC259H432BrCl4F3N2O10S
Molecular Weight4045.09 g/mol
Exact Mass4039.10
IUPAC Name1-bromo-3-butan-2-ylbenzene;6-butan-2-yl-1-benzofuran;5-butan-2-yl-1-benzothiophene;4-butan-2-yl-9H-carbazole;1-butan-2-yl-4-chlorobenzene;4-butan-2-yl-1,2-dichlorobenzene;bis(4-butan-2-yl-1,2-dimethylbenzene);1-butan-2-yl-4-methoxybenzene;1-(3-butan-2-ylphenyl)ethanone;1-(3-butan-2-ylphenyl)-2-hydroxyethanone;(3-butan-2-ylphenyl)methanol;5-butan-2-yl-1,2,3,4-tetrahydronaphthalene;2-chlorobutan-2-ylbenzene;ethane;methane;2-methylbutan-2-ylbenzene;methyl 3-butan-2-yl-5-(2-hydroxyacetyl)benzoate;2-methyl-2-phenylbutanenitrile;(1,1,1-trifluoro-2-methylbutan-2-yl)benzene
SMILESC.C.C.C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC(C)(C#N)c1ccccc1.CCC(C)(C)c1ccccc1.CCC(C)(Cl)c1ccccc1.CCC(C)(c1ccccc1)C(F)(F)F.CCC(C)c1cc(C(=O)CO)cc(C(=O)OC)c1.CCC(C)c1ccc(C)c(C)c1.CCC(C)c1ccc(C)c(C)c1.CCC(C)c1ccc(Cl)c(Cl)c1.CCC(C)c1ccc(Cl)cc1.CCC(C)c1ccc(OC)cc1.CCC(C)c1ccc2ccoc2c1.CCC(C)c1ccc2sccc2c1.CCC(C)c1cccc(Br)c1.CCC(C)c1cccc(C(=O)CO)c1.CCC(C)c1cccc(C(C)=O)c1.CCC(C)c1cccc(CO)c1.CCC(C)c1cccc2[nH]c3ccccc3c12.CCC(C)c1cccc2c1CCCC2
InChIInChI=1S/C16H17N.C14H18O4.C14H20.C12H16O2.C12H14O.C12H16O.C12H14S.2C12H18.C11H13F3.C11H13N.2C11H16O.C11H16.C10H13Br.C10H12Cl2.2C10H13Cl.18C2H6.12CH4/c1-3-11(2)12-8-6-10-15-16(12)13-7-4-5-9-14(13)17-15;1-4-9(2)10-5-11(13(16)8-15)7-12(6-10)14(17)18-3;1-3-11(2)13-10-6-8-12-7-4-5-9-14(12)13;1-3-9(2)10-5-4-6-11(7-10)12(14)8-13;1-3-9(2)11-5-4-10-6-7-13-12(10)8-11;1-4-9(2)11-6-5-7-12(8-11)10(3)13;1-3-9(2)10-4-5-12-11(8-10)6-7-13-12;2*1-5-9(2)12-7-6-10(3)11(4)8-12;1-3-10(2,11(12,13)14)9-7-5-4-6-8-9;1-3-11(2,9-12)10-7-5-4-6-8-10;1-4-9(2)10-5-7-11(12-3)8-6-10;1-3-9(2)11-6-4-5-10(7-11)8-12;1-4-11(2,3)10-8-6-5-7-9-10;1-3-8(2)9-5-4-6-10(11)7-9;1-3-7(2)8-4-5-9(11)10(12)6-8;1-3-8(2)9-4-6-10(11)7-5-9;1-3-10(2,11)9-7-5-4-6-8-9;18*1-2;;;;;;;;;;;;/h4-11,17H,3H2,1-2H3;5-7,9,15H,4,8H2,1-3H3;6,8,10-11H,3-5,7,9H2,1-2H3;4-7,9,13H,3,8H2,1-2H3;4-9H,3H2,1-2H3;5-9H,4H2,1-3H3;4-9H,3H2,1-2H3;2*6-9H,5H2,1-4H3;4-8H,3H2,1-2H3;4-8H,3H2,1-2H3;5-9H,4H2,1-3H3;4-7,9,12H,3,8H2,1-2H3;5-9H,4H2,1-3H3;4-8H,3H2,1-2H3;4-7H,3H2,1-2H3;2*4-8H,3H2,1-2H3;18*1-2H3;12*1H4
InChIKeyCAJVUQYYVAGBDE-UHFFFAOYSA-N
XLogP90.90
TPSA200.15 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds44
Heavy Atoms280
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004045.09
LogP ≤ 590.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 1-bromo-3-butan-2-ylbenzene;6-butan-2-yl-1-benzofuran;5-butan-2-yl-1-benzothiophene;4-butan-2-yl-9H-carbazole;1-butan-2-yl-4-chlorobenzene;4-butan-2-yl-1,2-dichlorobenzene;bis(4-butan-2-yl-1,2-dimethylbenzene);1-butan-2-yl-4-methoxybenzene;1-(3-butan-2-ylphenyl)ethanone;1-(3-butan-2-ylphenyl)-2-hydroxyethanone;(3-butan-2-ylphenyl)methanol;5-butan-2-yl-1,2,3,4-tetrahydronaphthalene;2-chlorobutan-2-ylbenzene;ethane;methane;2-methylbutan-2-ylbenzene;methyl 3-butan-2-yl-5-(2-hydroxyacetyl)benzoate;2-methyl-2-phenylbutanenitrile;(1,1,1-trifluoro-2-methylbutan-2-yl)benzene with MolForge

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

Launch Full Analysis

Related Compounds

6-butan-2-yl-1-benzofuran;5-butan-2-yl-1-benzothiophene;4-butan-2-yl-9H-carbazole;4-butan-2-yl-1,2-dichlorobenzene;ethane;methanol;tris(2-methylbutan-2-ylbenzene);(1,1,1-trifluoro-2-methylbutan-2-yl)benzene
CID 157381335
6-butan-2-yl-1-benzofuran;5-butan-2-yl-1-benzothiophene;4-butan-2-yl-9H-carbazole;2-chlorobutan-2-ylbenzene;hydrogen peroxide;methanol;2-methyl-2-phenylbutanenitrile;(1,1,1-trifluoro-2-methylbutan-2-yl)benzene
CID 159295641
6-butan-2-yl-1-benzofuran;5-butan-2-yl-1-benzothiophene;4-butan-2-yl-9H-carbazole;2-chlorobutan-2-ylbenzene;ethane;hydrogen peroxide;methanol;2-methylbutan-2-ylbenzene;2-methyl-2-phenylbutanenitrile;(1,1,1-trifluoro-2-methylbutan-2-yl)benzene
CID 161944081
6-butan-2-yl-4a,9b-dihydrodibenzothiophene;6-butan-2-yl-1-benzofuran;5-butan-2-yl-1-benzothiophene;4-butan-2-yl-9H-carbazole;3-butan-2-yldibenzofuran;4-butan-2-yl-1,2-dichlorobenzene;2-chlorobutan-2-ylbenzene;ethane;methane;2-methylbutan-2-ylbenzene;2-methyl-N-phenylbutanamide;2-methyl-2-phenylbutanenitrile;phenyl 2,2-dimethylbutanoate;2-phenylethyl 2-methylbutanoate;(1,1,1-trifluoro-2-methylbutan-2-yl)benzene
CID 165087275

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-butan-2-ylbenzene;6-butan-2-yl-1-benzofuran;5-butan-2-yl-1-benzothiophene;4-butan-2-yl-9H-carbazole;1-butan-2-yl-4-chlorobenzene;4-butan-2-yl-1,2-dichlorobenzene;bis(4-butan-2-yl-1,2-dimethylbenzene);1-butan-2-yl-4-methoxybenzene;1-(3-butan-2-ylphenyl)ethanone;1-(3-butan-2-ylphenyl)-2-hydroxyethanone;(3-butan-2-ylphenyl)methanol;5-butan-2-yl-1,2,3,4-tetrahydronaphthalene;2-chlorobutan-2-ylbenzene;ethane;methane;2-methylbutan-2-ylbenzene;methyl 3-butan-2-yl-5-(2-hydroxyacetyl)benzoate;2-methyl-2-phenylbutanenitrile;(1,1,1-trifluoro-2-methylbutan-2-yl)benzene?
The IUPAC name of 1-bromo-3-butan-2-ylbenzene;6-butan-2-yl-1-benzofuran;5-butan-2-yl-1-benzothiophene;4-butan-2-yl-9H-carbazole;1-butan-2-yl-4-chlorobenzene;4-butan-2-yl-1,2-dichlorobenzene;bis(4-butan-2-yl-1,2-dimethylbenzene);1-butan-2-yl-4-methoxybenzene;1-(3-butan-2-ylphenyl)ethanone;1-(3-butan-2-ylphenyl)-2-hydroxyethanone;(3-butan-2-ylphenyl)methanol;5-butan-2-yl-1,2,3,4-tetrahydronaphthalene;2-chlorobutan-2-ylbenzene;ethane;methane;2-methylbutan-2-ylbenzene;methyl 3-butan-2-yl-5-(2-hydroxyacetyl)benzoate;2-methyl-2-phenylbutanenitrile;(1,1,1-trifluoro-2-methylbutan-2-yl)benzene (CID 164962465) is 1-bromo-3-butan-2-ylbenzene;6-butan-2-yl-1-benzofuran;5-butan-2-yl-1-benzothiophene;4-butan-2-yl-9H-carbazole;1-butan-2-yl-4-chlorobenzene;4-butan-2-yl-1,2-dichlorobenzene;bis(4-butan-2-yl-1,2-dimethylbenzene);1-butan-2-yl-4-methoxybenzene;1-(3-butan-2-ylphenyl)ethanone;1-(3-butan-2-ylphenyl)-2-hydroxyethanone;(3-butan-2-ylphenyl)methanol;5-butan-2-yl-1,2,3,4-tetrahydronaphthalene;2-chlorobutan-2-ylbenzene;ethane;methane;2-methylbutan-2-ylbenzene;methyl 3-butan-2-yl-5-(2-hydroxyacetyl)benzoate;2-methyl-2-phenylbutanenitrile;(1,1,1-trifluoro-2-methylbutan-2-yl)benzene.
What is the SMILES notation for 1-bromo-3-butan-2-ylbenzene;6-butan-2-yl-1-benzofuran;5-butan-2-yl-1-benzothiophene;4-butan-2-yl-9H-carbazole;1-butan-2-yl-4-chlorobenzene;4-butan-2-yl-1,2-dichlorobenzene;bis(4-butan-2-yl-1,2-dimethylbenzene);1-butan-2-yl-4-methoxybenzene;1-(3-butan-2-ylphenyl)ethanone;1-(3-butan-2-ylphenyl)-2-hydroxyethanone;(3-butan-2-ylphenyl)methanol;5-butan-2-yl-1,2,3,4-tetrahydronaphthalene;2-chlorobutan-2-ylbenzene;ethane;methane;2-methylbutan-2-ylbenzene;methyl 3-butan-2-yl-5-(2-hydroxyacetyl)benzoate;2-methyl-2-phenylbutanenitrile;(1,1,1-trifluoro-2-methylbutan-2-yl)benzene?
The canonical SMILES for 1-bromo-3-butan-2-ylbenzene;6-butan-2-yl-1-benzofuran;5-butan-2-yl-1-benzothiophene;4-butan-2-yl-9H-carbazole;1-butan-2-yl-4-chlorobenzene;4-butan-2-yl-1,2-dichlorobenzene;bis(4-butan-2-yl-1,2-dimethylbenzene);1-butan-2-yl-4-methoxybenzene;1-(3-butan-2-ylphenyl)ethanone;1-(3-butan-2-ylphenyl)-2-hydroxyethanone;(3-butan-2-ylphenyl)methanol;5-butan-2-yl-1,2,3,4-tetrahydronaphthalene;2-chlorobutan-2-ylbenzene;ethane;methane;2-methylbutan-2-ylbenzene;methyl 3-butan-2-yl-5-(2-hydroxyacetyl)benzoate;2-methyl-2-phenylbutanenitrile;(1,1,1-trifluoro-2-methylbutan-2-yl)benzene is C.C.C.C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC(C)(C#N)c1ccccc1.CCC(C)(C)c1ccccc1.CCC(C)(Cl)c1ccccc1.CCC(C)(c1ccccc1)C(F)(F)F.CCC(C)c1cc(C(=O)CO)cc(C(=O)OC)c1.CCC(C)c1ccc(C)c(C)c1.CCC(C)c1ccc(C)c(C)c1.CCC(C)c1ccc(Cl)c(Cl)c1.CCC(C)c1ccc(Cl)cc1.CCC(C)c1ccc(OC)cc1.CCC(C)c1ccc2ccoc2c1.CCC(C)c1ccc2sccc2c1.CCC(C)c1cccc(Br)c1.CCC(C)c1cccc(C(=O)CO)c1.CCC(C)c1cccc(C(C)=O)c1.CCC(C)c1cccc(CO)c1.CCC(C)c1cccc2[nH]c3ccccc3c12.CCC(C)c1cccc2c1CCCC2.
What is the InChIKey of 1-bromo-3-butan-2-ylbenzene;6-butan-2-yl-1-benzofuran;5-butan-2-yl-1-benzothiophene;4-butan-2-yl-9H-carbazole;1-butan-2-yl-4-chlorobenzene;4-butan-2-yl-1,2-dichlorobenzene;bis(4-butan-2-yl-1,2-dimethylbenzene);1-butan-2-yl-4-methoxybenzene;1-(3-butan-2-ylphenyl)ethanone;1-(3-butan-2-ylphenyl)-2-hydroxyethanone;(3-butan-2-ylphenyl)methanol;5-butan-2-yl-1,2,3,4-tetrahydronaphthalene;2-chlorobutan-2-ylbenzene;ethane;methane;2-methylbutan-2-ylbenzene;methyl 3-butan-2-yl-5-(2-hydroxyacetyl)benzoate;2-methyl-2-phenylbutanenitrile;(1,1,1-trifluoro-2-methylbutan-2-yl)benzene?
The InChIKey is CAJVUQYYVAGBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N.C14H18O4.C14H20.C12H16O2.C12H14O.C12H16O.C12H14S.2C12H18.C11H13F3.C11H13N.2C11H16O.C11H16.C10H13Br.C10H12Cl2.2C10H13Cl.18C2H6.12CH4/c1-3-11(2)12-8-6-10-15-16(12)13-7-4-5-9-14(13)17-15;1-4-9(2)10-5-11(13(16)8-15)7-12(6-10)14(17)18-3;1-3-11(2)13-10-6-8-12-7-4-5-9-14(12)13;1-3-9(2)10-5-4-6-11(7-10)12(14)8-13;1-3-9(2)11-5-4-10-6-7-13-12(10)8-11;1-4-9(2)11-6-5-7-12(8-11)10(3)13;1-3-9(2)10-4-5-12-11(8-10)6-7-13-12;2*1-5-9(2)12-7-6-10(3)11(4)8-12;1-3-10(2,11(12,13)14)9-7-5-4-6-8-9;1-3-11(2,9-12)10-7-5-4-6-8-10;1-4-9(2)10-5-7-11(12-3)8-6-10;1-3-9(2)11-6-4-5-10(7-11)8-12;1-4-11(2,3)10-8-6-5-7-9-10;1-3-8(2)9-5-4-6-10(11)7-9;1-3-7(2)8-4-5-9(11)10(12)6-8;1-3-8(2)9-4-6-10(11)7-5-9;1-3-10(2,11)9-7-5-4-6-8-9;18*1-2;;;;;;;;;;;;/h4-11,17H,3H2,1-2H3;5-7,9,15H,4,8H2,1-3H3;6,8,10-11H,3-5,7,9H2,1-2H3;4-7,9,13H,3,8H2,1-2H3;4-9H,3H2,1-2H3;5-9H,4H2,1-3H3;4-9H,3H2,1-2H3;2*6-9H,5H2,1-4H3;4-8H,3H2,1-2H3;4-8H,3H2,1-2H3;5-9H,4H2,1-3H3;4-7,9,12H,3,8H2,1-2H3;5-9H,4H2,1-3H3;4-8H,3H2,1-2H3;4-7H,3H2,1-2H3;2*4-8H,3H2,1-2H3;18*1-2H3;12*1H4.
What are the key properties of 1-bromo-3-butan-2-ylbenzene;6-butan-2-yl-1-benzofuran;5-butan-2-yl-1-benzothiophene;4-butan-2-yl-9H-carbazole;1-butan-2-yl-4-chlorobenzene;4-butan-2-yl-1,2-dichlorobenzene;bis(4-butan-2-yl-1,2-dimethylbenzene);1-butan-2-yl-4-methoxybenzene;1-(3-butan-2-ylphenyl)ethanone;1-(3-butan-2-ylphenyl)-2-hydroxyethanone;(3-butan-2-ylphenyl)methanol;5-butan-2-yl-1,2,3,4-tetrahydronaphthalene;2-chlorobutan-2-ylbenzene;ethane;methane;2-methylbutan-2-ylbenzene;methyl 3-butan-2-yl-5-(2-hydroxyacetyl)benzoate;2-methyl-2-phenylbutanenitrile;(1,1,1-trifluoro-2-methylbutan-2-yl)benzene?
1-bromo-3-butan-2-ylbenzene;6-butan-2-yl-1-benzofuran;5-butan-2-yl-1-benzothiophene;4-butan-2-yl-9H-carbazole;1-butan-2-yl-4-chlorobenzene;4-butan-2-yl-1,2-dichlorobenzene;bis(4-butan-2-yl-1,2-dimethylbenzene);1-butan-2-yl-4-methoxybenzene;1-(3-butan-2-ylphenyl)ethanone;1-(3-butan-2-ylphenyl)-2-hydroxyethanone;(3-butan-2-ylphenyl)methanol;5-butan-2-yl-1,2,3,4-tetrahydronaphthalene;2-chlorobutan-2-ylbenzene;ethane;methane;2-methylbutan-2-ylbenzene;methyl 3-butan-2-yl-5-(2-hydroxyacetyl)benzoate;2-methyl-2-phenylbutanenitrile;(1,1,1-trifluoro-2-methylbutan-2-yl)benzene has a molecular weight of 4045.09 g/mol, XLogP of 90.90, 44 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-butan-2-ylbenzene;6-butan-2-yl-1-benzofuran;5-butan-2-yl-1-benzothiophene;4-butan-2-yl-9H-carbazole;1-butan-2-yl-4-chlorobenzene;4-butan-2-yl-1,2-dichlorobenzene;bis(4-butan-2-yl-1,2-dimethylbenzene);1-butan-2-yl-4-methoxybenzene;1-(3-butan-2-ylphenyl)ethanone;1-(3-butan-2-ylphenyl)-2-hydroxyethanone;(3-butan-2-ylphenyl)methanol;5-butan-2-yl-1,2,3,4-tetrahydronaphthalene;2-chlorobutan-2-ylbenzene;ethane;methane;2-methylbutan-2-ylbenzene;methyl 3-butan-2-yl-5-(2-hydroxyacetyl)benzoate;2-methyl-2-phenylbutanenitrile;(1,1,1-trifluoro-2-methylbutan-2-yl)benzene is sourced from PubChem (CID 164962465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).