1-tert-butyl-4-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;4-tert-butyl-1-chloro-2-methylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethylbenzene;1-tert-butyl-4-ethylbenzene;2-tert-butyl-1-ethyl-4-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;5-tert-butyl-1H-indole;5-tert-butyl-2-methoxy-1,3-dimethylbenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-4-methylsulfinylbenzene;N-(3-tert-butylphenyl)methanesulfonamide;4-[(4-tert-butylphenyl)methyl]morpholine;(4-tert-butylphenyl)-morpholin-4-ylmethanone;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-2-propan-2-yloxybenzene

C236H338Cl3F5N4O8S2 — CID 160712202

IUPAC1-tert-butyl-4-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;4-tert-butyl-1-chloro-2-methylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethylbenzene;1-tert-butyl-4-ethylbenzene;2-tert-butyl-1-ethyl-4-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;5-tert-butyl-1H-indole;5-tert-butyl-2-methoxy-1,3-dimethylbenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-4-methylsulfinylbenzene;N-(3-tert-butylphenyl)methanesulfonamide;4-[(4-tert-butylphenyl)methyl]morpholine;(4-tert-butylphenyl)-morpholin-4-ylmethanone;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-2-propan-2-yloxybenzene
SMILESCC(C)(C)c1ccc(C(=O)N2CCOCC2)cc1.CC(C)(C)c1ccc(CN2CCOCC2)cc1.CC(C)(C)c1ccc(Cl)cc1.CC(C)(C)c1ccc(F)c(Cl)c1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1cccc(NS(C)(=O)=O)c1.CC(C)Oc1ccccc1C(C)(C)C.CC(C)c1ccc(C(C)(C)C)cc1.CCc1ccc(C(C)(C)C)cc1.CCc1ccc(F)cc1C(C)(C)C.CCc1cccc(C(C)(C)C)c1.COc1c(C)cc(C(C)(C)C)cc1C.CS(=O)c1ccc(C(C)(C)C)cc1.Cc1cc(C(C)(C)C)ccc1Cl.Cc1cc(C(C)(C)C)ccc1F.Cc1cc(F)ccc1C(C)(C)C.Cc1ccc(C)c(C(C)(C)C)c1.Cc1ccccc1C(C)(C)C.Cc1ccccc1C(C)(C)C
InChIInChI=1S/C15H21NO2.C15H23NO.2C13H20O.C13H20.C12H17F.C12H15N.3C12H18.C11H15Cl.2C11H15F.C11H17NO2S.C11H16OS.2C11H16.C10H12ClF.C10H13Cl.C10H13F/c1-15(2,3)13-6-4-12(5-7-13)14(17)16-8-10-18-11-9-16;1-15(2,3)14-6-4-13(5-7-14)12-16-8-10-17-11-9-16;1-9-7-11(13(3,4)5)8-10(2)12(9)14-6;1-10(2)14-12-9-7-6-8-11(12)13(3,4)5;1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-5-9-6-7-10(13)8-11(9)12(2,3)4;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-9-6-7-10(2)11(8-9)12(3,4)5;1-5-10-6-8-11(9-7-10)12(2,3)4;1-5-10-7-6-8-11(9-10)12(2,3)4;1-8-7-9(11(2,3)4)5-6-10(8)12;1-8-7-9(12)5-6-10(8)11(2,3)4;1-8-7-9(11(2,3)4)5-6-10(8)12;1-11(2,3)9-6-5-7-10(8-9)12-15(4,13)14;1-11(2,3)9-5-7-10(8-6-9)13(4)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;2*1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,8-11H2,1-3H3;4-7H,8-12H2,1-3H3;7-8H,1-6H3;6-10H,1-5H3;6-10H,1-5H3;6-8H,5H2,1-4H3;4-8,13H,1-3H3;6-8H,1-5H3;2*6-9H,5H2,1-4H3;3*5-7H,1-4H3;5-8,12H,1-4H3;5-8H,1-4H3;2*5-8H,1-4H3;4-6H,1-3H3;2*4-7H,1-3H3
InChIKeyRRZVOUWIOALSBD-UHFFFAOYSA-N
MW3624.80 g/mol
LogP67.61
Rot. Bonds13

About 1-tert-butyl-4-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;4-tert-butyl-1-chloro-2-methylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethylbenzene;1-tert-butyl-4-ethylbenzene;2-tert-butyl-1-ethyl-4-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;5-tert-butyl-1H-indole;5-tert-butyl-2-methoxy-1,3-dimethylbenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-4-methylsulfinylbenzene;N-(3-tert-butylphenyl)methanesulfonamide;4-[(4-tert-butylphenyl)methyl]morpholine;(4-tert-butylphenyl)-morpholin-4-ylmethanone;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-2-propan-2-yloxybenzene

1-tert-butyl-4-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;4-tert-butyl-1-chloro-2-methylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethylbenzene;1-tert-butyl-4-ethylbenzene;2-tert-butyl-1-ethyl-4-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;5-tert-butyl-1H-indole;5-tert-butyl-2-methoxy-1,3-dimethylbenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-4-methylsulfinylbenzene;N-(3-tert-butylphenyl)methanesulfonamide;4-[(4-tert-butylphenyl)methyl]morpholine;(4-tert-butylphenyl)-morpholin-4-ylmethanone;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-2-propan-2-yloxybenzene (PubChem CID 160712202) has the molecular formula C236H338Cl3F5N4O8S2 and a molecular weight of 3624.80 g/mol. Its IUPAC name is 1-tert-butyl-4-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;4-tert-butyl-1-chloro-2-methylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethylbenzene;1-tert-butyl-4-ethylbenzene;2-tert-butyl-1-ethyl-4-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;5-tert-butyl-1H-indole;5-tert-butyl-2-methoxy-1,3-dimethylbenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-4-methylsulfinylbenzene;N-(3-tert-butylphenyl)methanesulfonamide;4-[(4-tert-butylphenyl)methyl]morpholine;(4-tert-butylphenyl)-morpholin-4-ylmethanone;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-2-propan-2-yloxybenzene.

Molecular Properties

Compound Name1-tert-butyl-4-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;4-tert-butyl-1-chloro-2-methylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethylbenzene;1-tert-butyl-4-ethylbenzene;2-tert-butyl-1-ethyl-4-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;5-tert-butyl-1H-indole;5-tert-butyl-2-methoxy-1,3-dimethylbenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-4-methylsulfinylbenzene;N-(3-tert-butylphenyl)methanesulfonamide;4-[(4-tert-butylphenyl)methyl]morpholine;(4-tert-butylphenyl)-morpholin-4-ylmethanone;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-2-propan-2-yloxybenzene
PubChem CID160712202
Molecular FormulaC236H338Cl3F5N4O8S2
Molecular Weight3624.80 g/mol
Exact Mass3620.46
IUPAC Name1-tert-butyl-4-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;4-tert-butyl-1-chloro-2-methylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethylbenzene;1-tert-butyl-4-ethylbenzene;2-tert-butyl-1-ethyl-4-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;5-tert-butyl-1H-indole;5-tert-butyl-2-methoxy-1,3-dimethylbenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-4-methylsulfinylbenzene;N-(3-tert-butylphenyl)methanesulfonamide;4-[(4-tert-butylphenyl)methyl]morpholine;(4-tert-butylphenyl)-morpholin-4-ylmethanone;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-2-propan-2-yloxybenzene
SMILESCC(C)(C)c1ccc(C(=O)N2CCOCC2)cc1.CC(C)(C)c1ccc(CN2CCOCC2)cc1.CC(C)(C)c1ccc(Cl)cc1.CC(C)(C)c1ccc(F)c(Cl)c1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1cccc(NS(C)(=O)=O)c1.CC(C)Oc1ccccc1C(C)(C)C.CC(C)c1ccc(C(C)(C)C)cc1.CCc1ccc(C(C)(C)C)cc1.CCc1ccc(F)cc1C(C)(C)C.CCc1cccc(C(C)(C)C)c1.COc1c(C)cc(C(C)(C)C)cc1C.CS(=O)c1ccc(C(C)(C)C)cc1.Cc1cc(C(C)(C)C)ccc1Cl.Cc1cc(C(C)(C)C)ccc1F.Cc1cc(F)ccc1C(C)(C)C.Cc1ccc(C)c(C(C)(C)C)c1.Cc1ccccc1C(C)(C)C.Cc1ccccc1C(C)(C)C
InChIInChI=1S/C15H21NO2.C15H23NO.2C13H20O.C13H20.C12H17F.C12H15N.3C12H18.C11H15Cl.2C11H15F.C11H17NO2S.C11H16OS.2C11H16.C10H12ClF.C10H13Cl.C10H13F/c1-15(2,3)13-6-4-12(5-7-13)14(17)16-8-10-18-11-9-16;1-15(2,3)14-6-4-13(5-7-14)12-16-8-10-17-11-9-16;1-9-7-11(13(3,4)5)8-10(2)12(9)14-6;1-10(2)14-12-9-7-6-8-11(12)13(3,4)5;1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-5-9-6-7-10(13)8-11(9)12(2,3)4;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-9-6-7-10(2)11(8-9)12(3,4)5;1-5-10-6-8-11(9-7-10)12(2,3)4;1-5-10-7-6-8-11(9-10)12(2,3)4;1-8-7-9(11(2,3)4)5-6-10(8)12;1-8-7-9(12)5-6-10(8)11(2,3)4;1-8-7-9(11(2,3)4)5-6-10(8)12;1-11(2,3)9-6-5-7-10(8-9)12-15(4,13)14;1-11(2,3)9-5-7-10(8-6-9)13(4)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;2*1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,8-11H2,1-3H3;4-7H,8-12H2,1-3H3;7-8H,1-6H3;6-10H,1-5H3;6-10H,1-5H3;6-8H,5H2,1-4H3;4-8,13H,1-3H3;6-8H,1-5H3;2*6-9H,5H2,1-4H3;3*5-7H,1-4H3;5-8,12H,1-4H3;5-8H,1-4H3;2*5-8H,1-4H3;4-6H,1-3H3;2*4-7H,1-3H3
InChIKeyRRZVOUWIOALSBD-UHFFFAOYSA-N
XLogP67.61
TPSA139.50 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms258
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003624.80
LogP ≤ 567.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-tert-butyl-4-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;4-tert-butyl-1-chloro-2-methylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethylbenzene;1-tert-butyl-4-ethylbenzene;2-tert-butyl-1-ethyl-4-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;5-tert-butyl-1H-indole;5-tert-butyl-2-methoxy-1,3-dimethylbenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-4-methylsulfinylbenzene;N-(3-tert-butylphenyl)methanesulfonamide;4-[(4-tert-butylphenyl)methyl]morpholine;(4-tert-butylphenyl)-morpholin-4-ylmethanone;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-2-propan-2-yloxybenzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;4-tert-butyl-1-chloro-2-methylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethylbenzene;1-tert-butyl-4-ethylbenzene;2-tert-butyl-1-ethyl-4-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;5-tert-butyl-1H-indole;5-tert-butyl-2-methoxy-1,3-dimethylbenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-4-methylsulfinylbenzene;N-(3-tert-butylphenyl)methanesulfonamide;4-[(4-tert-butylphenyl)methyl]morpholine;(4-tert-butylphenyl)-morpholin-4-ylmethanone;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-2-propan-2-yloxybenzene?
The IUPAC name of 1-tert-butyl-4-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;4-tert-butyl-1-chloro-2-methylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethylbenzene;1-tert-butyl-4-ethylbenzene;2-tert-butyl-1-ethyl-4-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;5-tert-butyl-1H-indole;5-tert-butyl-2-methoxy-1,3-dimethylbenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-4-methylsulfinylbenzene;N-(3-tert-butylphenyl)methanesulfonamide;4-[(4-tert-butylphenyl)methyl]morpholine;(4-tert-butylphenyl)-morpholin-4-ylmethanone;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-2-propan-2-yloxybenzene (CID 160712202) is 1-tert-butyl-4-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;4-tert-butyl-1-chloro-2-methylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethylbenzene;1-tert-butyl-4-ethylbenzene;2-tert-butyl-1-ethyl-4-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;5-tert-butyl-1H-indole;5-tert-butyl-2-methoxy-1,3-dimethylbenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-4-methylsulfinylbenzene;N-(3-tert-butylphenyl)methanesulfonamide;4-[(4-tert-butylphenyl)methyl]morpholine;(4-tert-butylphenyl)-morpholin-4-ylmethanone;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-2-propan-2-yloxybenzene.
What is the SMILES notation for 1-tert-butyl-4-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;4-tert-butyl-1-chloro-2-methylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethylbenzene;1-tert-butyl-4-ethylbenzene;2-tert-butyl-1-ethyl-4-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;5-tert-butyl-1H-indole;5-tert-butyl-2-methoxy-1,3-dimethylbenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-4-methylsulfinylbenzene;N-(3-tert-butylphenyl)methanesulfonamide;4-[(4-tert-butylphenyl)methyl]morpholine;(4-tert-butylphenyl)-morpholin-4-ylmethanone;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-2-propan-2-yloxybenzene?
The canonical SMILES for 1-tert-butyl-4-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;4-tert-butyl-1-chloro-2-methylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethylbenzene;1-tert-butyl-4-ethylbenzene;2-tert-butyl-1-ethyl-4-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;5-tert-butyl-1H-indole;5-tert-butyl-2-methoxy-1,3-dimethylbenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-4-methylsulfinylbenzene;N-(3-tert-butylphenyl)methanesulfonamide;4-[(4-tert-butylphenyl)methyl]morpholine;(4-tert-butylphenyl)-morpholin-4-ylmethanone;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-2-propan-2-yloxybenzene is CC(C)(C)c1ccc(C(=O)N2CCOCC2)cc1.CC(C)(C)c1ccc(CN2CCOCC2)cc1.CC(C)(C)c1ccc(Cl)cc1.CC(C)(C)c1ccc(F)c(Cl)c1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1cccc(NS(C)(=O)=O)c1.CC(C)Oc1ccccc1C(C)(C)C.CC(C)c1ccc(C(C)(C)C)cc1.CCc1ccc(C(C)(C)C)cc1.CCc1ccc(F)cc1C(C)(C)C.CCc1cccc(C(C)(C)C)c1.COc1c(C)cc(C(C)(C)C)cc1C.CS(=O)c1ccc(C(C)(C)C)cc1.Cc1cc(C(C)(C)C)ccc1Cl.Cc1cc(C(C)(C)C)ccc1F.Cc1cc(F)ccc1C(C)(C)C.Cc1ccc(C)c(C(C)(C)C)c1.Cc1ccccc1C(C)(C)C.Cc1ccccc1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-4-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;4-tert-butyl-1-chloro-2-methylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethylbenzene;1-tert-butyl-4-ethylbenzene;2-tert-butyl-1-ethyl-4-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;5-tert-butyl-1H-indole;5-tert-butyl-2-methoxy-1,3-dimethylbenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-4-methylsulfinylbenzene;N-(3-tert-butylphenyl)methanesulfonamide;4-[(4-tert-butylphenyl)methyl]morpholine;(4-tert-butylphenyl)-morpholin-4-ylmethanone;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-2-propan-2-yloxybenzene?
The InChIKey is RRZVOUWIOALSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2.C15H23NO.2C13H20O.C13H20.C12H17F.C12H15N.3C12H18.C11H15Cl.2C11H15F.C11H17NO2S.C11H16OS.2C11H16.C10H12ClF.C10H13Cl.C10H13F/c1-15(2,3)13-6-4-12(5-7-13)14(17)16-8-10-18-11-9-16;1-15(2,3)14-6-4-13(5-7-14)12-16-8-10-17-11-9-16;1-9-7-11(13(3,4)5)8-10(2)12(9)14-6;1-10(2)14-12-9-7-6-8-11(12)13(3,4)5;1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-5-9-6-7-10(13)8-11(9)12(2,3)4;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-9-6-7-10(2)11(8-9)12(3,4)5;1-5-10-6-8-11(9-7-10)12(2,3)4;1-5-10-7-6-8-11(9-10)12(2,3)4;1-8-7-9(11(2,3)4)5-6-10(8)12;1-8-7-9(12)5-6-10(8)11(2,3)4;1-8-7-9(11(2,3)4)5-6-10(8)12;1-11(2,3)9-6-5-7-10(8-9)12-15(4,13)14;1-11(2,3)9-5-7-10(8-6-9)13(4)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;2*1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,8-11H2,1-3H3;4-7H,8-12H2,1-3H3;7-8H,1-6H3;6-10H,1-5H3;6-10H,1-5H3;6-8H,5H2,1-4H3;4-8,13H,1-3H3;6-8H,1-5H3;2*6-9H,5H2,1-4H3;3*5-7H,1-4H3;5-8,12H,1-4H3;5-8H,1-4H3;2*5-8H,1-4H3;4-6H,1-3H3;2*4-7H,1-3H3.
What are the key properties of 1-tert-butyl-4-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;4-tert-butyl-1-chloro-2-methylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethylbenzene;1-tert-butyl-4-ethylbenzene;2-tert-butyl-1-ethyl-4-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;5-tert-butyl-1H-indole;5-tert-butyl-2-methoxy-1,3-dimethylbenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-4-methylsulfinylbenzene;N-(3-tert-butylphenyl)methanesulfonamide;4-[(4-tert-butylphenyl)methyl]morpholine;(4-tert-butylphenyl)-morpholin-4-ylmethanone;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-2-propan-2-yloxybenzene?
1-tert-butyl-4-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;4-tert-butyl-1-chloro-2-methylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethylbenzene;1-tert-butyl-4-ethylbenzene;2-tert-butyl-1-ethyl-4-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;5-tert-butyl-1H-indole;5-tert-butyl-2-methoxy-1,3-dimethylbenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-4-methylsulfinylbenzene;N-(3-tert-butylphenyl)methanesulfonamide;4-[(4-tert-butylphenyl)methyl]morpholine;(4-tert-butylphenyl)-morpholin-4-ylmethanone;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-2-propan-2-yloxybenzene has a molecular weight of 3624.80 g/mol, XLogP of 67.61, 13 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;4-tert-butyl-1-chloro-2-methylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethylbenzene;1-tert-butyl-4-ethylbenzene;2-tert-butyl-1-ethyl-4-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;5-tert-butyl-1H-indole;5-tert-butyl-2-methoxy-1,3-dimethylbenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-4-methylsulfinylbenzene;N-(3-tert-butylphenyl)methanesulfonamide;4-[(4-tert-butylphenyl)methyl]morpholine;(4-tert-butylphenyl)-morpholin-4-ylmethanone;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-2-propan-2-yloxybenzene is sourced from PubChem (CID 160712202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).