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

C117H149ClF2N6O6 — CID 161023200

IUPAC4-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
SMILESCC(C)(C)c1cccc(F)c1.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/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/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
InChIKeyTYQKPGHXTGQKOB-UHFFFAOYSA-N
MW1808.96 g/mol
LogP31.24
Rot. Bonds16

About 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

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 (PubChem CID 161023200) has the molecular formula C117H149ClF2N6O6 and a molecular weight of 1808.96 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID161023200
Molecular FormulaC117H149ClF2N6O6
Molecular Weight1808.96 g/mol
Exact Mass1807.12
IUPAC Name4-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
SMILESCC(C)(C)c1cccc(F)c1.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/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/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
InChIKeyTYQKPGHXTGQKOB-UHFFFAOYSA-N
XLogP31.24
TPSA132.72 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001808.96
LogP ≤ 531.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 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 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 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?
The IUPAC name of 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 (CID 161023200) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1cccc(F)c1.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 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?
The InChIKey is TYQKPGHXTGQKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO.C17H20FNO.C17H21NO2.2C17H21NO.C11H16.C10H13F.C10H15N/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/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.
What are the key properties of 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?
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 has a molecular weight of 1808.96 g/mol, XLogP of 31.24, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161023200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).