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;1-tert-butyl-4-fluorobenzene;2-tert-butyl-4-fluoro-1-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;5-tert-butyl-1H-indole;5-tert-butyl-2-methoxy-1,3-dimethylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylsulfinylbenzene;2-tert-butylphenol;N-(3-tert-butylphenyl)methanesulfonamide;1-[(4-tert-butylphenyl)methyl]piperidine;(4-tert-butylphenyl)-piperidin-1-ylmethanone;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-2-propan-2-yloxybenzene

C225H323Cl3F4N4O8S2 — CID 158327676

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;1-tert-butyl-4-fluorobenzene;2-tert-butyl-4-fluoro-1-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;5-tert-butyl-1H-indole;5-tert-butyl-2-methoxy-1,3-dimethylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylsulfinylbenzene;2-tert-butylphenol;N-(3-tert-butylphenyl)methanesulfonamide;1-[(4-tert-butylphenyl)methyl]piperidine;(4-tert-butylphenyl)-piperidin-1-ylmethanone;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-2-propan-2-yloxybenzene
SMILESCC(C)(C)c1ccc(C(=O)N2CCCCC2)cc1.CC(C)(C)c1ccc(CN2CCCCC2)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)(C)c1ccccc1O.CC(C)Oc1ccccc1C(C)(C)C.CC(C)c1ccc(C(C)(C)C)cc1.CCc1ccc(C(C)(C)C)cc1.CCc1cccc(C(C)(C)C)c1.COc1c(C)cc(C(C)(C)C)cc1C.COc1ccc(F)cc1C(C)(C)C.CS(=O)c1ccc(C(C)(C)C)cc1.Cc1cc(C(C)(C)C)ccc1Cl.Cc1cc(C(C)(C)C)ccc1F.Cc1ccc(C)c(C(C)(C)C)c1.Cc1ccccc1C(C)(C)C
InChIInChI=1S/C16H23NO.C16H25N.2C13H20O.C13H20.C12H15N.3C12H18.C11H15Cl.C11H15FO.C11H15F.C11H17NO2S.C11H16OS.C11H16.C10H12ClF.C10H13Cl.C10H13F.C10H14O/c1-16(2,3)14-9-7-13(8-10-14)15(18)17-11-5-4-6-12-17;1-16(2,3)15-9-7-14(8-10-15)13-17-11-5-4-6-12-17;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;1-12(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;1-11(2,3)9-7-8(12)5-6-10(9)13-4;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;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;1-10(2,3)8-6-4-5-7-9(8)11/h7-10H,4-6,11-12H2,1-3H3;7-10H,4-6,11-13H2,1-3H3;7-8H,1-6H3;6-10H,1-5H3;6-10H,1-5H3;4-8,13H,1-3H3;6-8H,1-5H3;2*6-9H,5H2,1-4H3;5-7H,1-4H3;5-7H,1-4H3;5-7H,1-4H3;5-8,12H,1-4H3;5-8H,1-4H3;5-8H,1-4H3;4-6H,1-3H3;2*4-7H,1-3H3;4-7,11H,1-3H3
InChIKeyGPPLYKIGYKLQKZ-UHFFFAOYSA-N
MW3458.56 g/mol
LogP65.33
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;1-tert-butyl-4-fluorobenzene;2-tert-butyl-4-fluoro-1-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;5-tert-butyl-1H-indole;5-tert-butyl-2-methoxy-1,3-dimethylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylsulfinylbenzene;2-tert-butylphenol;N-(3-tert-butylphenyl)methanesulfonamide;1-[(4-tert-butylphenyl)methyl]piperidine;(4-tert-butylphenyl)-piperidin-1-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;1-tert-butyl-4-fluorobenzene;2-tert-butyl-4-fluoro-1-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;5-tert-butyl-1H-indole;5-tert-butyl-2-methoxy-1,3-dimethylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylsulfinylbenzene;2-tert-butylphenol;N-(3-tert-butylphenyl)methanesulfonamide;1-[(4-tert-butylphenyl)methyl]piperidine;(4-tert-butylphenyl)-piperidin-1-ylmethanone;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-2-propan-2-yloxybenzene (PubChem CID 158327676) has the molecular formula C225H323Cl3F4N4O8S2 and a molecular weight of 3458.56 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;1-tert-butyl-4-fluorobenzene;2-tert-butyl-4-fluoro-1-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;5-tert-butyl-1H-indole;5-tert-butyl-2-methoxy-1,3-dimethylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylsulfinylbenzene;2-tert-butylphenol;N-(3-tert-butylphenyl)methanesulfonamide;1-[(4-tert-butylphenyl)methyl]piperidine;(4-tert-butylphenyl)-piperidin-1-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;1-tert-butyl-4-fluorobenzene;2-tert-butyl-4-fluoro-1-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;5-tert-butyl-1H-indole;5-tert-butyl-2-methoxy-1,3-dimethylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylsulfinylbenzene;2-tert-butylphenol;N-(3-tert-butylphenyl)methanesulfonamide;1-[(4-tert-butylphenyl)methyl]piperidine;(4-tert-butylphenyl)-piperidin-1-ylmethanone;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-2-propan-2-yloxybenzene
PubChem CID158327676
Molecular FormulaC225H323Cl3F4N4O8S2
Molecular Weight3458.56 g/mol
Exact Mass3454.34
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;1-tert-butyl-4-fluorobenzene;2-tert-butyl-4-fluoro-1-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;5-tert-butyl-1H-indole;5-tert-butyl-2-methoxy-1,3-dimethylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylsulfinylbenzene;2-tert-butylphenol;N-(3-tert-butylphenyl)methanesulfonamide;1-[(4-tert-butylphenyl)methyl]piperidine;(4-tert-butylphenyl)-piperidin-1-ylmethanone;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-2-propan-2-yloxybenzene
SMILESCC(C)(C)c1ccc(C(=O)N2CCCCC2)cc1.CC(C)(C)c1ccc(CN2CCCCC2)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)(C)c1ccccc1O.CC(C)Oc1ccccc1C(C)(C)C.CC(C)c1ccc(C(C)(C)C)cc1.CCc1ccc(C(C)(C)C)cc1.CCc1cccc(C(C)(C)C)c1.COc1c(C)cc(C(C)(C)C)cc1C.COc1ccc(F)cc1C(C)(C)C.CS(=O)c1ccc(C(C)(C)C)cc1.Cc1cc(C(C)(C)C)ccc1Cl.Cc1cc(C(C)(C)C)ccc1F.Cc1ccc(C)c(C(C)(C)C)c1.Cc1ccccc1C(C)(C)C
InChIInChI=1S/C16H23NO.C16H25N.2C13H20O.C13H20.C12H15N.3C12H18.C11H15Cl.C11H15FO.C11H15F.C11H17NO2S.C11H16OS.C11H16.C10H12ClF.C10H13Cl.C10H13F.C10H14O/c1-16(2,3)14-9-7-13(8-10-14)15(18)17-11-5-4-6-12-17;1-16(2,3)15-9-7-14(8-10-15)13-17-11-5-4-6-12-17;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;1-12(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;1-11(2,3)9-7-8(12)5-6-10(9)13-4;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;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;1-10(2,3)8-6-4-5-7-9(8)11/h7-10H,4-6,11-12H2,1-3H3;7-10H,4-6,11-13H2,1-3H3;7-8H,1-6H3;6-10H,1-5H3;6-10H,1-5H3;4-8,13H,1-3H3;6-8H,1-5H3;2*6-9H,5H2,1-4H3;5-7H,1-4H3;5-7H,1-4H3;5-7H,1-4H3;5-8,12H,1-4H3;5-8H,1-4H3;5-8H,1-4H3;4-6H,1-3H3;2*4-7H,1-3H3;4-7,11H,1-3H3
InChIKeyGPPLYKIGYKLQKZ-UHFFFAOYSA-N
XLogP65.33
TPSA150.50 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms246
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003458.56
LogP ≤ 565.33
H-Bond Donors ≤ 53
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;1-tert-butyl-4-fluorobenzene;2-tert-butyl-4-fluoro-1-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;5-tert-butyl-1H-indole;5-tert-butyl-2-methoxy-1,3-dimethylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylsulfinylbenzene;2-tert-butylphenol;N-(3-tert-butylphenyl)methanesulfonamide;1-[(4-tert-butylphenyl)methyl]piperidine;(4-tert-butylphenyl)-piperidin-1-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;1-tert-butyl-4-fluorobenzene;2-tert-butyl-4-fluoro-1-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;5-tert-butyl-1H-indole;5-tert-butyl-2-methoxy-1,3-dimethylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylsulfinylbenzene;2-tert-butylphenol;N-(3-tert-butylphenyl)methanesulfonamide;1-[(4-tert-butylphenyl)methyl]piperidine;(4-tert-butylphenyl)-piperidin-1-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;1-tert-butyl-4-fluorobenzene;2-tert-butyl-4-fluoro-1-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;5-tert-butyl-1H-indole;5-tert-butyl-2-methoxy-1,3-dimethylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylsulfinylbenzene;2-tert-butylphenol;N-(3-tert-butylphenyl)methanesulfonamide;1-[(4-tert-butylphenyl)methyl]piperidine;(4-tert-butylphenyl)-piperidin-1-ylmethanone;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-2-propan-2-yloxybenzene (CID 158327676) 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;1-tert-butyl-4-fluorobenzene;2-tert-butyl-4-fluoro-1-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;5-tert-butyl-1H-indole;5-tert-butyl-2-methoxy-1,3-dimethylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylsulfinylbenzene;2-tert-butylphenol;N-(3-tert-butylphenyl)methanesulfonamide;1-[(4-tert-butylphenyl)methyl]piperidine;(4-tert-butylphenyl)-piperidin-1-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;1-tert-butyl-4-fluorobenzene;2-tert-butyl-4-fluoro-1-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;5-tert-butyl-1H-indole;5-tert-butyl-2-methoxy-1,3-dimethylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylsulfinylbenzene;2-tert-butylphenol;N-(3-tert-butylphenyl)methanesulfonamide;1-[(4-tert-butylphenyl)methyl]piperidine;(4-tert-butylphenyl)-piperidin-1-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;1-tert-butyl-4-fluorobenzene;2-tert-butyl-4-fluoro-1-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;5-tert-butyl-1H-indole;5-tert-butyl-2-methoxy-1,3-dimethylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylsulfinylbenzene;2-tert-butylphenol;N-(3-tert-butylphenyl)methanesulfonamide;1-[(4-tert-butylphenyl)methyl]piperidine;(4-tert-butylphenyl)-piperidin-1-ylmethanone;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-2-propan-2-yloxybenzene is CC(C)(C)c1ccc(C(=O)N2CCCCC2)cc1.CC(C)(C)c1ccc(CN2CCCCC2)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)(C)c1ccccc1O.CC(C)Oc1ccccc1C(C)(C)C.CC(C)c1ccc(C(C)(C)C)cc1.CCc1ccc(C(C)(C)C)cc1.CCc1cccc(C(C)(C)C)c1.COc1c(C)cc(C(C)(C)C)cc1C.COc1ccc(F)cc1C(C)(C)C.CS(=O)c1ccc(C(C)(C)C)cc1.Cc1cc(C(C)(C)C)ccc1Cl.Cc1cc(C(C)(C)C)ccc1F.Cc1ccc(C)c(C(C)(C)C)c1.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;1-tert-butyl-4-fluorobenzene;2-tert-butyl-4-fluoro-1-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;5-tert-butyl-1H-indole;5-tert-butyl-2-methoxy-1,3-dimethylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylsulfinylbenzene;2-tert-butylphenol;N-(3-tert-butylphenyl)methanesulfonamide;1-[(4-tert-butylphenyl)methyl]piperidine;(4-tert-butylphenyl)-piperidin-1-ylmethanone;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-2-propan-2-yloxybenzene?
The InChIKey is GPPLYKIGYKLQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO.C16H25N.2C13H20O.C13H20.C12H15N.3C12H18.C11H15Cl.C11H15FO.C11H15F.C11H17NO2S.C11H16OS.C11H16.C10H12ClF.C10H13Cl.C10H13F.C10H14O/c1-16(2,3)14-9-7-13(8-10-14)15(18)17-11-5-4-6-12-17;1-16(2,3)15-9-7-14(8-10-15)13-17-11-5-4-6-12-17;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;1-12(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;1-11(2,3)9-7-8(12)5-6-10(9)13-4;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;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;1-10(2,3)8-6-4-5-7-9(8)11/h7-10H,4-6,11-12H2,1-3H3;7-10H,4-6,11-13H2,1-3H3;7-8H,1-6H3;6-10H,1-5H3;6-10H,1-5H3;4-8,13H,1-3H3;6-8H,1-5H3;2*6-9H,5H2,1-4H3;5-7H,1-4H3;5-7H,1-4H3;5-7H,1-4H3;5-8,12H,1-4H3;5-8H,1-4H3;5-8H,1-4H3;4-6H,1-3H3;2*4-7H,1-3H3;4-7,11H,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;1-tert-butyl-4-fluorobenzene;2-tert-butyl-4-fluoro-1-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;5-tert-butyl-1H-indole;5-tert-butyl-2-methoxy-1,3-dimethylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylsulfinylbenzene;2-tert-butylphenol;N-(3-tert-butylphenyl)methanesulfonamide;1-[(4-tert-butylphenyl)methyl]piperidine;(4-tert-butylphenyl)-piperidin-1-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;1-tert-butyl-4-fluorobenzene;2-tert-butyl-4-fluoro-1-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;5-tert-butyl-1H-indole;5-tert-butyl-2-methoxy-1,3-dimethylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylsulfinylbenzene;2-tert-butylphenol;N-(3-tert-butylphenyl)methanesulfonamide;1-[(4-tert-butylphenyl)methyl]piperidine;(4-tert-butylphenyl)-piperidin-1-ylmethanone;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-2-propan-2-yloxybenzene has a molecular weight of 3458.56 g/mol, XLogP of 65.33, 13 rotatable bonds, 3 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;1-tert-butyl-4-fluorobenzene;2-tert-butyl-4-fluoro-1-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;5-tert-butyl-1H-indole;5-tert-butyl-2-methoxy-1,3-dimethylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylsulfinylbenzene;2-tert-butylphenol;N-(3-tert-butylphenyl)methanesulfonamide;1-[(4-tert-butylphenyl)methyl]piperidine;(4-tert-butylphenyl)-piperidin-1-ylmethanone;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-2-propan-2-yloxybenzene is sourced from PubChem (CID 158327676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).