1-tert-butyl-4-chlorobenzene;4-tert-butyl-1-chloro-2-methylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;1-tert-butyl-3-ethylbenzene;1-tert-butyl-4-ethylbenzene;5-tert-butyl-1-ethyl-2,3-dimethoxybenzene;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;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylsulfinylbenzene;4-(4-tert-butylphenyl)butan-2-one;N-(3-tert-butylphenyl)methanesulfonamide;1-[(4-tert-butylphenyl)methyl]piperidine;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-2-propan-2-yloxybenzene

C228H331Cl2F4N3O8S2 — CID 158716459

IUPAC1-tert-butyl-4-chlorobenzene;4-tert-butyl-1-chloro-2-methylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;1-tert-butyl-3-ethylbenzene;1-tert-butyl-4-ethylbenzene;5-tert-butyl-1-ethyl-2,3-dimethoxybenzene;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;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylsulfinylbenzene;4-(4-tert-butylphenyl)butan-2-one;N-(3-tert-butylphenyl)methanesulfonamide;1-[(4-tert-butylphenyl)methyl]piperidine;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-2-propan-2-yloxybenzene
SMILESCC(=O)CCc1ccc(C(C)(C)C)cc1.CC(C)(C)c1ccc(CN2CCCCC2)cc1.CC(C)(C)c1ccc(Cl)cc1.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.CCOc1cccc(C(C)(C)C)c1.CCc1cc(C(C)(C)C)cc(OC)c1OC.CCc1ccc(C(C)(C)C)cc1.CCc1ccc(F)cc1C(C)(C)C.CCc1cccc(C(C)(C)C)c1.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
InChIInChI=1S/C16H25N.C14H22O2.C14H20O.C13H20O.C13H20.C12H17F.C12H15N.C12H18O.3C12H18.C11H15Cl.2C11H15F.C11H17NO2S.C11H16OS.C11H16.C10H13Cl.C10H13F/c1-16(2,3)15-9-7-14(8-10-15)13-17-11-5-4-6-12-17;1-7-10-8-11(14(2,3)4)9-12(15-5)13(10)16-6;1-11(15)5-6-12-7-9-13(10-8-12)14(2,3)4;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;1-5-13-11-8-6-7-10(9-11)12(2,3)4;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;1-9-7-5-6-8-10(9)11(2,3)4;2*1-10(2,3)8-4-6-9(11)7-5-8/h7-10H,4-6,11-13H2,1-3H3;8-9H,7H2,1-6H3;7-10H,5-6H2,1-4H3;6-10H,1-5H3;6-10H,1-5H3;6-8H,5H2,1-4H3;4-8,13H,1-3H3;6-9H,5H2,1-4H3;6-8H,1-5H3;2*6-9H,5H2,1-4H3;3*5-7H,1-4H3;5-8,12H,1-4H3;5-8H,1-4H3;5-8H,1-4H3;2*4-7H,1-3H3
InChIKeyIJJHFBSUWBTWIM-UHFFFAOYSA-N
MW3453.20 g/mol
LogP66.09
Rot. Bonds19

About 1-tert-butyl-4-chlorobenzene;4-tert-butyl-1-chloro-2-methylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;1-tert-butyl-3-ethylbenzene;1-tert-butyl-4-ethylbenzene;5-tert-butyl-1-ethyl-2,3-dimethoxybenzene;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;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylsulfinylbenzene;4-(4-tert-butylphenyl)butan-2-one;N-(3-tert-butylphenyl)methanesulfonamide;1-[(4-tert-butylphenyl)methyl]piperidine;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-2-propan-2-yloxybenzene

1-tert-butyl-4-chlorobenzene;4-tert-butyl-1-chloro-2-methylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;1-tert-butyl-3-ethylbenzene;1-tert-butyl-4-ethylbenzene;5-tert-butyl-1-ethyl-2,3-dimethoxybenzene;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;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylsulfinylbenzene;4-(4-tert-butylphenyl)butan-2-one;N-(3-tert-butylphenyl)methanesulfonamide;1-[(4-tert-butylphenyl)methyl]piperidine;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-2-propan-2-yloxybenzene (PubChem CID 158716459) has the molecular formula C228H331Cl2F4N3O8S2 and a molecular weight of 3453.20 g/mol. Its IUPAC name is 1-tert-butyl-4-chlorobenzene;4-tert-butyl-1-chloro-2-methylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;1-tert-butyl-3-ethylbenzene;1-tert-butyl-4-ethylbenzene;5-tert-butyl-1-ethyl-2,3-dimethoxybenzene;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;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylsulfinylbenzene;4-(4-tert-butylphenyl)butan-2-one;N-(3-tert-butylphenyl)methanesulfonamide;1-[(4-tert-butylphenyl)methyl]piperidine;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-1-chloro-2-methylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;1-tert-butyl-3-ethylbenzene;1-tert-butyl-4-ethylbenzene;5-tert-butyl-1-ethyl-2,3-dimethoxybenzene;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;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylsulfinylbenzene;4-(4-tert-butylphenyl)butan-2-one;N-(3-tert-butylphenyl)methanesulfonamide;1-[(4-tert-butylphenyl)methyl]piperidine;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-2-propan-2-yloxybenzene
PubChem CID158716459
Molecular FormulaC228H331Cl2F4N3O8S2
Molecular Weight3453.20 g/mol
Exact Mass3449.43
IUPAC Name1-tert-butyl-4-chlorobenzene;4-tert-butyl-1-chloro-2-methylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;1-tert-butyl-3-ethylbenzene;1-tert-butyl-4-ethylbenzene;5-tert-butyl-1-ethyl-2,3-dimethoxybenzene;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;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylsulfinylbenzene;4-(4-tert-butylphenyl)butan-2-one;N-(3-tert-butylphenyl)methanesulfonamide;1-[(4-tert-butylphenyl)methyl]piperidine;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-2-propan-2-yloxybenzene
SMILESCC(=O)CCc1ccc(C(C)(C)C)cc1.CC(C)(C)c1ccc(CN2CCCCC2)cc1.CC(C)(C)c1ccc(Cl)cc1.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.CCOc1cccc(C(C)(C)C)c1.CCc1cc(C(C)(C)C)cc(OC)c1OC.CCc1ccc(C(C)(C)C)cc1.CCc1ccc(F)cc1C(C)(C)C.CCc1cccc(C(C)(C)C)c1.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
InChIInChI=1S/C16H25N.C14H22O2.C14H20O.C13H20O.C13H20.C12H17F.C12H15N.C12H18O.3C12H18.C11H15Cl.2C11H15F.C11H17NO2S.C11H16OS.C11H16.C10H13Cl.C10H13F/c1-16(2,3)15-9-7-14(8-10-15)13-17-11-5-4-6-12-17;1-7-10-8-11(14(2,3)4)9-12(15-5)13(10)16-6;1-11(15)5-6-12-7-9-13(10-8-12)14(2,3)4;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;1-5-13-11-8-6-7-10(9-11)12(2,3)4;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;1-9-7-5-6-8-10(9)11(2,3)4;2*1-10(2,3)8-4-6-9(11)7-5-8/h7-10H,4-6,11-13H2,1-3H3;8-9H,7H2,1-6H3;7-10H,5-6H2,1-4H3;6-10H,1-5H3;6-10H,1-5H3;6-8H,5H2,1-4H3;4-8,13H,1-3H3;6-9H,5H2,1-4H3;6-8H,1-5H3;2*6-9H,5H2,1-4H3;3*5-7H,1-4H3;5-8,12H,1-4H3;5-8H,1-4H3;5-8H,1-4H3;2*4-7H,1-3H3
InChIKeyIJJHFBSUWBTWIM-UHFFFAOYSA-N
XLogP66.09
TPSA136.26 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms247
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003453.20
LogP ≤ 566.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-tert-butyl-4-chlorobenzene;4-tert-butyl-1-chloro-2-methylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;1-tert-butyl-3-ethylbenzene;1-tert-butyl-4-ethylbenzene;5-tert-butyl-1-ethyl-2,3-dimethoxybenzene;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;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylsulfinylbenzene;4-(4-tert-butylphenyl)butan-2-one;N-(3-tert-butylphenyl)methanesulfonamide;1-[(4-tert-butylphenyl)methyl]piperidine;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-1-chloro-2-methylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;1-tert-butyl-3-ethylbenzene;1-tert-butyl-4-ethylbenzene;5-tert-butyl-1-ethyl-2,3-dimethoxybenzene;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;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylsulfinylbenzene;4-(4-tert-butylphenyl)butan-2-one;N-(3-tert-butylphenyl)methanesulfonamide;1-[(4-tert-butylphenyl)methyl]piperidine;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-1-chloro-2-methylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;1-tert-butyl-3-ethylbenzene;1-tert-butyl-4-ethylbenzene;5-tert-butyl-1-ethyl-2,3-dimethoxybenzene;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;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylsulfinylbenzene;4-(4-tert-butylphenyl)butan-2-one;N-(3-tert-butylphenyl)methanesulfonamide;1-[(4-tert-butylphenyl)methyl]piperidine;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-2-propan-2-yloxybenzene (CID 158716459) is 1-tert-butyl-4-chlorobenzene;4-tert-butyl-1-chloro-2-methylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;1-tert-butyl-3-ethylbenzene;1-tert-butyl-4-ethylbenzene;5-tert-butyl-1-ethyl-2,3-dimethoxybenzene;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;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylsulfinylbenzene;4-(4-tert-butylphenyl)butan-2-one;N-(3-tert-butylphenyl)methanesulfonamide;1-[(4-tert-butylphenyl)methyl]piperidine;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-1-chloro-2-methylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;1-tert-butyl-3-ethylbenzene;1-tert-butyl-4-ethylbenzene;5-tert-butyl-1-ethyl-2,3-dimethoxybenzene;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;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylsulfinylbenzene;4-(4-tert-butylphenyl)butan-2-one;N-(3-tert-butylphenyl)methanesulfonamide;1-[(4-tert-butylphenyl)methyl]piperidine;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-1-chloro-2-methylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;1-tert-butyl-3-ethylbenzene;1-tert-butyl-4-ethylbenzene;5-tert-butyl-1-ethyl-2,3-dimethoxybenzene;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;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylsulfinylbenzene;4-(4-tert-butylphenyl)butan-2-one;N-(3-tert-butylphenyl)methanesulfonamide;1-[(4-tert-butylphenyl)methyl]piperidine;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-2-propan-2-yloxybenzene is CC(=O)CCc1ccc(C(C)(C)C)cc1.CC(C)(C)c1ccc(CN2CCCCC2)cc1.CC(C)(C)c1ccc(Cl)cc1.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.CCOc1cccc(C(C)(C)C)c1.CCc1cc(C(C)(C)C)cc(OC)c1OC.CCc1ccc(C(C)(C)C)cc1.CCc1ccc(F)cc1C(C)(C)C.CCc1cccc(C(C)(C)C)c1.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.
What is the InChIKey of 1-tert-butyl-4-chlorobenzene;4-tert-butyl-1-chloro-2-methylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;1-tert-butyl-3-ethylbenzene;1-tert-butyl-4-ethylbenzene;5-tert-butyl-1-ethyl-2,3-dimethoxybenzene;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;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylsulfinylbenzene;4-(4-tert-butylphenyl)butan-2-one;N-(3-tert-butylphenyl)methanesulfonamide;1-[(4-tert-butylphenyl)methyl]piperidine;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-2-propan-2-yloxybenzene?
The InChIKey is IJJHFBSUWBTWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N.C14H22O2.C14H20O.C13H20O.C13H20.C12H17F.C12H15N.C12H18O.3C12H18.C11H15Cl.2C11H15F.C11H17NO2S.C11H16OS.C11H16.C10H13Cl.C10H13F/c1-16(2,3)15-9-7-14(8-10-15)13-17-11-5-4-6-12-17;1-7-10-8-11(14(2,3)4)9-12(15-5)13(10)16-6;1-11(15)5-6-12-7-9-13(10-8-12)14(2,3)4;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;1-5-13-11-8-6-7-10(9-11)12(2,3)4;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;1-9-7-5-6-8-10(9)11(2,3)4;2*1-10(2,3)8-4-6-9(11)7-5-8/h7-10H,4-6,11-13H2,1-3H3;8-9H,7H2,1-6H3;7-10H,5-6H2,1-4H3;6-10H,1-5H3;6-10H,1-5H3;6-8H,5H2,1-4H3;4-8,13H,1-3H3;6-9H,5H2,1-4H3;6-8H,1-5H3;2*6-9H,5H2,1-4H3;3*5-7H,1-4H3;5-8,12H,1-4H3;5-8H,1-4H3;5-8H,1-4H3;2*4-7H,1-3H3.
What are the key properties of 1-tert-butyl-4-chlorobenzene;4-tert-butyl-1-chloro-2-methylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;1-tert-butyl-3-ethylbenzene;1-tert-butyl-4-ethylbenzene;5-tert-butyl-1-ethyl-2,3-dimethoxybenzene;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;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylsulfinylbenzene;4-(4-tert-butylphenyl)butan-2-one;N-(3-tert-butylphenyl)methanesulfonamide;1-[(4-tert-butylphenyl)methyl]piperidine;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-2-propan-2-yloxybenzene?
1-tert-butyl-4-chlorobenzene;4-tert-butyl-1-chloro-2-methylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;1-tert-butyl-3-ethylbenzene;1-tert-butyl-4-ethylbenzene;5-tert-butyl-1-ethyl-2,3-dimethoxybenzene;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;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylsulfinylbenzene;4-(4-tert-butylphenyl)butan-2-one;N-(3-tert-butylphenyl)methanesulfonamide;1-[(4-tert-butylphenyl)methyl]piperidine;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-2-propan-2-yloxybenzene has a molecular weight of 3453.20 g/mol, XLogP of 66.09, 19 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-1-chloro-2-methylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;1-tert-butyl-3-ethylbenzene;1-tert-butyl-4-ethylbenzene;5-tert-butyl-1-ethyl-2,3-dimethoxybenzene;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;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylsulfinylbenzene;4-(4-tert-butylphenyl)butan-2-one;N-(3-tert-butylphenyl)methanesulfonamide;1-[(4-tert-butylphenyl)methyl]piperidine;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-2-propan-2-yloxybenzene is sourced from PubChem (CID 158716459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).