3-bromo-6-(4-tert-butyl-2-methylphenyl)-2-methyl-4-phenylmethoxypyridine

C24H26BrNO — CID 169250298

IUPAC3-bromo-6-(4-tert-butyl-2-methylphenyl)-2-methyl-4-phenylmethoxypyridine
SMILESCc1cc(C(C)(C)C)ccc1-c1cc(OCc2ccccc2)c(Br)c(C)n1
InChIInChI=1S/C24H26BrNO/c1-16-13-19(24(3,4)5)11-12-20(16)21-14-22(23(25)17(2)26-21)27-15-18-9-7-6-8-10-18/h6-14H,15H2,1-5H3
InChIKeyJWRYMIRCFKLSRF-UHFFFAOYSA-N
MW424.38 g/mol
LogP7.00
Rot. Bonds4

About 3-bromo-6-(4-tert-butyl-2-methylphenyl)-2-methyl-4-phenylmethoxypyridine

3-bromo-6-(4-tert-butyl-2-methylphenyl)-2-methyl-4-phenylmethoxypyridine (PubChem CID 169250298) has the molecular formula C24H26BrNO and a molecular weight of 424.38 g/mol. Its IUPAC name is 3-bromo-6-(4-tert-butyl-2-methylphenyl)-2-methyl-4-phenylmethoxypyridine.

Molecular Properties

Compound Name3-bromo-6-(4-tert-butyl-2-methylphenyl)-2-methyl-4-phenylmethoxypyridine
PubChem CID169250298
Molecular FormulaC24H26BrNO
Molecular Weight424.38 g/mol
Exact Mass423.12
IUPAC Name3-bromo-6-(4-tert-butyl-2-methylphenyl)-2-methyl-4-phenylmethoxypyridine
SMILESCc1cc(C(C)(C)C)ccc1-c1cc(OCc2ccccc2)c(Br)c(C)n1
InChIInChI=1S/C24H26BrNO/c1-16-13-19(24(3,4)5)11-12-20(16)21-14-22(23(25)17(2)26-21)27-15-18-9-7-6-8-10-18/h6-14H,15H2,1-5H3
InChIKeyJWRYMIRCFKLSRF-UHFFFAOYSA-N
XLogP7.00
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.38
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-tert-butyl-2-methylphenyl)-4-phenylmethoxyquinoline-5-carboxamide
CID 170409345
tert-butyl-[2-[5-tert-butyl-2-(5,6-dimethyl-4-phenylmethoxy-2-pyridinyl)phenoxy]ethoxy]-dimethylsilane
CID 169250219
2-bromo-4-tert-butyl-1-phenylmethoxybenzene
CID 15152030
[6-[4-tert-butyl-2-methyl-5-(trifluoromethyl)phenyl]-2-methyl-4-phenylmethoxy-3-pyridinyl]-imino-methyl-oxo-λ6-sulfane
CID 169249974
4-tert-butyl-2-phenylmethoxyphenol
CID 18795860
1-(5-tert-butyl-2-phenylmethoxyphenyl)ethane-1,2-diamine
CID 170894728
1-bromo-2-methyl-4,5-bis(phenylmethoxy)benzene
CID 135397184
1-tert-butyl-4-[(2-methylphenoxy)methyl]benzene
CID 59416571
2-bromo-4-methyl-5-phenylmethoxypyridine
CID 166661810
1-[4-(5-tert-butyl-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 4036816
4-bromo-1-tert-butyl-2-phenylmethoxybenzene
CID 90310776
2-tert-butyl-7-phenylmethoxynaphthalene
CID 146249475

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(4-tert-butyl-2-methylphenyl)-2-methyl-4-phenylmethoxypyridine?
The IUPAC name of 3-bromo-6-(4-tert-butyl-2-methylphenyl)-2-methyl-4-phenylmethoxypyridine (CID 169250298) is 3-bromo-6-(4-tert-butyl-2-methylphenyl)-2-methyl-4-phenylmethoxypyridine.
What is the SMILES notation for 3-bromo-6-(4-tert-butyl-2-methylphenyl)-2-methyl-4-phenylmethoxypyridine?
The canonical SMILES for 3-bromo-6-(4-tert-butyl-2-methylphenyl)-2-methyl-4-phenylmethoxypyridine is Cc1cc(C(C)(C)C)ccc1-c1cc(OCc2ccccc2)c(Br)c(C)n1.
What is the InChIKey of 3-bromo-6-(4-tert-butyl-2-methylphenyl)-2-methyl-4-phenylmethoxypyridine?
The InChIKey is JWRYMIRCFKLSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26BrNO/c1-16-13-19(24(3,4)5)11-12-20(16)21-14-22(23(25)17(2)26-21)27-15-18-9-7-6-8-10-18/h6-14H,15H2,1-5H3.
What are the key properties of 3-bromo-6-(4-tert-butyl-2-methylphenyl)-2-methyl-4-phenylmethoxypyridine?
3-bromo-6-(4-tert-butyl-2-methylphenyl)-2-methyl-4-phenylmethoxypyridine has a molecular weight of 424.38 g/mol, XLogP of 7.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(4-tert-butyl-2-methylphenyl)-2-methyl-4-phenylmethoxypyridine is sourced from PubChem (CID 169250298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).