tert-butylbenzene;4-tert-butyl-2-[(3-chloro-4,5-dimethylphenyl)methoxy]pyridine;1-tert-butyl-3-fluorobenzene;4-tert-butyl-2-[(4-fluoro-3-methylphenyl)methoxy]pyridine;4-tert-butyl-2-[(3-methoxyphenyl)methoxy]pyridine;1-tert-butyl-3-methylbenzene;bis(4-tert-butyl-2-[(4-methylphenyl)methoxy]pyridine);4-tert-butyl-2-methylpyridine;3-tert-butylpyridine

C136H176ClF2N7O6 — CID 159508284

IUPACtert-butylbenzene;4-tert-butyl-2-[(3-chloro-4,5-dimethylphenyl)methoxy]pyridine;1-tert-butyl-3-fluorobenzene;4-tert-butyl-2-[(4-fluoro-3-methylphenyl)methoxy]pyridine;4-tert-butyl-2-[(3-methoxyphenyl)methoxy]pyridine;1-tert-butyl-3-methylbenzene;bis(4-tert-butyl-2-[(4-methylphenyl)methoxy]pyridine);4-tert-butyl-2-methylpyridine;3-tert-butylpyridine
SMILESCC(C)(C)c1cccc(F)c1.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.COc1cccc(COc2cc(C(C)(C)C)ccn2)c1.Cc1cc(C(C)(C)C)ccn1.Cc1cc(COc2cc(C(C)(C)C)ccn2)cc(Cl)c1C.Cc1cc(COc2cc(C(C)(C)C)ccn2)ccc1F.Cc1ccc(COc2cc(C(C)(C)C)ccn2)cc1.Cc1ccc(COc2cc(C(C)(C)C)ccn2)cc1.Cc1cccc(C(C)(C)C)c1
InChIInChI=1S/C18H22ClNO.C17H20FNO.C17H21NO2.2C17H21NO.C11H16.C10H13F.C10H15N.C10H14.C9H13N/c1-12-8-14(9-16(19)13(12)2)11-21-17-10-15(6-7-20-17)18(3,4)5;1-12-9-13(5-6-15(12)18)11-20-16-10-14(7-8-19-16)17(2,3)4;1-17(2,3)14-8-9-18-16(11-14)20-12-13-6-5-7-15(10-13)19-4;2*1-13-5-7-14(8-6-13)12-19-16-11-15(9-10-18-16)17(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;1-10(2,3)8-5-4-6-9(11)7-8;1-8-7-9(5-6-11-8)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-5-4-6-10-7-8/h6-10H,11H2,1-5H3;5-10H,11H2,1-4H3;5-11H,12H2,1-4H3;2*5-11H,12H2,1-4H3;5-8H,1-4H3;4-7H,1-3H3;5-7H,1-4H3;4-8H,1-3H3;4-7H,1-3H3
InChIKeyMAGUDGZXXGQXAG-UHFFFAOYSA-N
MW2078.40 g/mol
LogP36.60
Rot. Bonds16

About tert-butylbenzene;4-tert-butyl-2-[(3-chloro-4,5-dimethylphenyl)methoxy]pyridine;1-tert-butyl-3-fluorobenzene;4-tert-butyl-2-[(4-fluoro-3-methylphenyl)methoxy]pyridine;4-tert-butyl-2-[(3-methoxyphenyl)methoxy]pyridine;1-tert-butyl-3-methylbenzene;bis(4-tert-butyl-2-[(4-methylphenyl)methoxy]pyridine);4-tert-butyl-2-methylpyridine;3-tert-butylpyridine

tert-butylbenzene;4-tert-butyl-2-[(3-chloro-4,5-dimethylphenyl)methoxy]pyridine;1-tert-butyl-3-fluorobenzene;4-tert-butyl-2-[(4-fluoro-3-methylphenyl)methoxy]pyridine;4-tert-butyl-2-[(3-methoxyphenyl)methoxy]pyridine;1-tert-butyl-3-methylbenzene;bis(4-tert-butyl-2-[(4-methylphenyl)methoxy]pyridine);4-tert-butyl-2-methylpyridine;3-tert-butylpyridine (PubChem CID 159508284) has the molecular formula C136H176ClF2N7O6 and a molecular weight of 2078.40 g/mol. Its IUPAC name is tert-butylbenzene;4-tert-butyl-2-[(3-chloro-4,5-dimethylphenyl)methoxy]pyridine;1-tert-butyl-3-fluorobenzene;4-tert-butyl-2-[(4-fluoro-3-methylphenyl)methoxy]pyridine;4-tert-butyl-2-[(3-methoxyphenyl)methoxy]pyridine;1-tert-butyl-3-methylbenzene;bis(4-tert-butyl-2-[(4-methylphenyl)methoxy]pyridine);4-tert-butyl-2-methylpyridine;3-tert-butylpyridine.

Molecular Properties

Compound Nametert-butylbenzene;4-tert-butyl-2-[(3-chloro-4,5-dimethylphenyl)methoxy]pyridine;1-tert-butyl-3-fluorobenzene;4-tert-butyl-2-[(4-fluoro-3-methylphenyl)methoxy]pyridine;4-tert-butyl-2-[(3-methoxyphenyl)methoxy]pyridine;1-tert-butyl-3-methylbenzene;bis(4-tert-butyl-2-[(4-methylphenyl)methoxy]pyridine);4-tert-butyl-2-methylpyridine;3-tert-butylpyridine
PubChem CID159508284
Molecular FormulaC136H176ClF2N7O6
Molecular Weight2078.40 g/mol
Exact Mass2076.33
IUPAC Nametert-butylbenzene;4-tert-butyl-2-[(3-chloro-4,5-dimethylphenyl)methoxy]pyridine;1-tert-butyl-3-fluorobenzene;4-tert-butyl-2-[(4-fluoro-3-methylphenyl)methoxy]pyridine;4-tert-butyl-2-[(3-methoxyphenyl)methoxy]pyridine;1-tert-butyl-3-methylbenzene;bis(4-tert-butyl-2-[(4-methylphenyl)methoxy]pyridine);4-tert-butyl-2-methylpyridine;3-tert-butylpyridine
SMILESCC(C)(C)c1cccc(F)c1.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.COc1cccc(COc2cc(C(C)(C)C)ccn2)c1.Cc1cc(C(C)(C)C)ccn1.Cc1cc(COc2cc(C(C)(C)C)ccn2)cc(Cl)c1C.Cc1cc(COc2cc(C(C)(C)C)ccn2)ccc1F.Cc1ccc(COc2cc(C(C)(C)C)ccn2)cc1.Cc1ccc(COc2cc(C(C)(C)C)ccn2)cc1.Cc1cccc(C(C)(C)C)c1
InChIInChI=1S/C18H22ClNO.C17H20FNO.C17H21NO2.2C17H21NO.C11H16.C10H13F.C10H15N.C10H14.C9H13N/c1-12-8-14(9-16(19)13(12)2)11-21-17-10-15(6-7-20-17)18(3,4)5;1-12-9-13(5-6-15(12)18)11-20-16-10-14(7-8-19-16)17(2,3)4;1-17(2,3)14-8-9-18-16(11-14)20-12-13-6-5-7-15(10-13)19-4;2*1-13-5-7-14(8-6-13)12-19-16-11-15(9-10-18-16)17(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;1-10(2,3)8-5-4-6-9(11)7-8;1-8-7-9(5-6-11-8)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-5-4-6-10-7-8/h6-10H,11H2,1-5H3;5-10H,11H2,1-4H3;5-11H,12H2,1-4H3;2*5-11H,12H2,1-4H3;5-8H,1-4H3;4-7H,1-3H3;5-7H,1-4H3;4-8H,1-3H3;4-7H,1-3H3
InChIKeyMAGUDGZXXGQXAG-UHFFFAOYSA-N
XLogP36.60
TPSA145.61 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002078.40
LogP ≤ 536.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze tert-butylbenzene;4-tert-butyl-2-[(3-chloro-4,5-dimethylphenyl)methoxy]pyridine;1-tert-butyl-3-fluorobenzene;4-tert-butyl-2-[(4-fluoro-3-methylphenyl)methoxy]pyridine;4-tert-butyl-2-[(3-methoxyphenyl)methoxy]pyridine;1-tert-butyl-3-methylbenzene;bis(4-tert-butyl-2-[(4-methylphenyl)methoxy]pyridine);4-tert-butyl-2-methylpyridine;3-tert-butylpyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;4-tert-butyl-2-[(3-chloro-4,5-dimethylphenyl)methoxy]pyridine;1-tert-butyl-3-fluorobenzene;4-tert-butyl-2-[(4-fluoro-3-methylphenyl)methoxy]pyridine;4-tert-butyl-2-[(3-methoxyphenyl)methoxy]pyridine;1-tert-butyl-3-methylbenzene;bis(4-tert-butyl-2-[(4-methylphenyl)methoxy]pyridine);4-tert-butyl-2-methylpyridine;3-tert-butylpyridine?
The IUPAC name of tert-butylbenzene;4-tert-butyl-2-[(3-chloro-4,5-dimethylphenyl)methoxy]pyridine;1-tert-butyl-3-fluorobenzene;4-tert-butyl-2-[(4-fluoro-3-methylphenyl)methoxy]pyridine;4-tert-butyl-2-[(3-methoxyphenyl)methoxy]pyridine;1-tert-butyl-3-methylbenzene;bis(4-tert-butyl-2-[(4-methylphenyl)methoxy]pyridine);4-tert-butyl-2-methylpyridine;3-tert-butylpyridine (CID 159508284) is tert-butylbenzene;4-tert-butyl-2-[(3-chloro-4,5-dimethylphenyl)methoxy]pyridine;1-tert-butyl-3-fluorobenzene;4-tert-butyl-2-[(4-fluoro-3-methylphenyl)methoxy]pyridine;4-tert-butyl-2-[(3-methoxyphenyl)methoxy]pyridine;1-tert-butyl-3-methylbenzene;bis(4-tert-butyl-2-[(4-methylphenyl)methoxy]pyridine);4-tert-butyl-2-methylpyridine;3-tert-butylpyridine.
What is the SMILES notation for tert-butylbenzene;4-tert-butyl-2-[(3-chloro-4,5-dimethylphenyl)methoxy]pyridine;1-tert-butyl-3-fluorobenzene;4-tert-butyl-2-[(4-fluoro-3-methylphenyl)methoxy]pyridine;4-tert-butyl-2-[(3-methoxyphenyl)methoxy]pyridine;1-tert-butyl-3-methylbenzene;bis(4-tert-butyl-2-[(4-methylphenyl)methoxy]pyridine);4-tert-butyl-2-methylpyridine;3-tert-butylpyridine?
The canonical SMILES for tert-butylbenzene;4-tert-butyl-2-[(3-chloro-4,5-dimethylphenyl)methoxy]pyridine;1-tert-butyl-3-fluorobenzene;4-tert-butyl-2-[(4-fluoro-3-methylphenyl)methoxy]pyridine;4-tert-butyl-2-[(3-methoxyphenyl)methoxy]pyridine;1-tert-butyl-3-methylbenzene;bis(4-tert-butyl-2-[(4-methylphenyl)methoxy]pyridine);4-tert-butyl-2-methylpyridine;3-tert-butylpyridine is CC(C)(C)c1cccc(F)c1.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.COc1cccc(COc2cc(C(C)(C)C)ccn2)c1.Cc1cc(C(C)(C)C)ccn1.Cc1cc(COc2cc(C(C)(C)C)ccn2)cc(Cl)c1C.Cc1cc(COc2cc(C(C)(C)C)ccn2)ccc1F.Cc1ccc(COc2cc(C(C)(C)C)ccn2)cc1.Cc1ccc(COc2cc(C(C)(C)C)ccn2)cc1.Cc1cccc(C(C)(C)C)c1.
What is the InChIKey of tert-butylbenzene;4-tert-butyl-2-[(3-chloro-4,5-dimethylphenyl)methoxy]pyridine;1-tert-butyl-3-fluorobenzene;4-tert-butyl-2-[(4-fluoro-3-methylphenyl)methoxy]pyridine;4-tert-butyl-2-[(3-methoxyphenyl)methoxy]pyridine;1-tert-butyl-3-methylbenzene;bis(4-tert-butyl-2-[(4-methylphenyl)methoxy]pyridine);4-tert-butyl-2-methylpyridine;3-tert-butylpyridine?
The InChIKey is MAGUDGZXXGQXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO.C17H20FNO.C17H21NO2.2C17H21NO.C11H16.C10H13F.C10H15N.C10H14.C9H13N/c1-12-8-14(9-16(19)13(12)2)11-21-17-10-15(6-7-20-17)18(3,4)5;1-12-9-13(5-6-15(12)18)11-20-16-10-14(7-8-19-16)17(2,3)4;1-17(2,3)14-8-9-18-16(11-14)20-12-13-6-5-7-15(10-13)19-4;2*1-13-5-7-14(8-6-13)12-19-16-11-15(9-10-18-16)17(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;1-10(2,3)8-5-4-6-9(11)7-8;1-8-7-9(5-6-11-8)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-5-4-6-10-7-8/h6-10H,11H2,1-5H3;5-10H,11H2,1-4H3;5-11H,12H2,1-4H3;2*5-11H,12H2,1-4H3;5-8H,1-4H3;4-7H,1-3H3;5-7H,1-4H3;4-8H,1-3H3;4-7H,1-3H3.
What are the key properties of tert-butylbenzene;4-tert-butyl-2-[(3-chloro-4,5-dimethylphenyl)methoxy]pyridine;1-tert-butyl-3-fluorobenzene;4-tert-butyl-2-[(4-fluoro-3-methylphenyl)methoxy]pyridine;4-tert-butyl-2-[(3-methoxyphenyl)methoxy]pyridine;1-tert-butyl-3-methylbenzene;bis(4-tert-butyl-2-[(4-methylphenyl)methoxy]pyridine);4-tert-butyl-2-methylpyridine;3-tert-butylpyridine?
tert-butylbenzene;4-tert-butyl-2-[(3-chloro-4,5-dimethylphenyl)methoxy]pyridine;1-tert-butyl-3-fluorobenzene;4-tert-butyl-2-[(4-fluoro-3-methylphenyl)methoxy]pyridine;4-tert-butyl-2-[(3-methoxyphenyl)methoxy]pyridine;1-tert-butyl-3-methylbenzene;bis(4-tert-butyl-2-[(4-methylphenyl)methoxy]pyridine);4-tert-butyl-2-methylpyridine;3-tert-butylpyridine has a molecular weight of 2078.40 g/mol, XLogP of 36.60, 16 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;4-tert-butyl-2-[(3-chloro-4,5-dimethylphenyl)methoxy]pyridine;1-tert-butyl-3-fluorobenzene;4-tert-butyl-2-[(4-fluoro-3-methylphenyl)methoxy]pyridine;4-tert-butyl-2-[(3-methoxyphenyl)methoxy]pyridine;1-tert-butyl-3-methylbenzene;bis(4-tert-butyl-2-[(4-methylphenyl)methoxy]pyridine);4-tert-butyl-2-methylpyridine;3-tert-butylpyridine is sourced from PubChem (CID 159508284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).