2-(4-tert-butylphenyl)-3-phenylmethoxypyridine

C22H23NO — CID 174613488

IUPAC2-(4-tert-butylphenyl)-3-phenylmethoxypyridine
SMILESCC(C)(C)c1ccc(-c2ncccc2OCc2ccccc2)cc1
InChIInChI=1S/C22H23NO/c1-22(2,3)19-13-11-18(12-14-19)21-20(10-7-15-23-21)24-16-17-8-5-4-6-9-17/h4-15H,16H2,1-3H3
InChIKeyXHBOQTWXNWLRMY-UHFFFAOYSA-N
MW317.43 g/mol
LogP5.63
Rot. Bonds4

About 2-(4-tert-butylphenyl)-3-phenylmethoxypyridine

2-(4-tert-butylphenyl)-3-phenylmethoxypyridine (PubChem CID 174613488) has the molecular formula C22H23NO and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-3-phenylmethoxypyridine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-3-phenylmethoxypyridine
PubChem CID174613488
Molecular FormulaC22H23NO
Molecular Weight317.43 g/mol
Exact Mass317.18
IUPAC Name2-(4-tert-butylphenyl)-3-phenylmethoxypyridine
SMILESCC(C)(C)c1ccc(-c2ncccc2OCc2ccccc2)cc1
InChIInChI=1S/C22H23NO/c1-22(2,3)19-13-11-18(12-14-19)21-20(10-7-15-23-21)24-16-17-8-5-4-6-9-17/h4-15H,16H2,1-3H3
InChIKeyXHBOQTWXNWLRMY-UHFFFAOYSA-N
XLogP5.63
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.43
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-4-[(2-methylphenoxy)methyl]benzene
CID 59416571
3-tert-butyl-2-phenylmethoxypyridine
CID 157173376
1-tert-butyl-4-[(2-ethylphenoxy)methyl]benzene
CID 60627116
3-(2-phenylethoxy)-2-pyridin-4-ylpyridine
CID 118735185
2-bromo-4-tert-butyl-1-phenylmethoxybenzene
CID 15152030
4-tert-butyl-2-phenylmethoxyphenol
CID 18795860
2-[3-phenylmethoxy-4-(trifluoromethyl)phenyl]pyridin-3-ol
CID 141199162
1-tert-butyl-2-phenylmethoxybenzene;formaldehyde
CID 174659745
2-[(4-tert-butylphenyl)methoxy]benzaldehyde
CID 22359834
2-(2-phenylmethoxyphenyl)pyridine-3-carbonitrile
CID 39826155
1-[2-[(4-tert-butylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 43277189
dimethyl-[(3-phenylmethoxy-2-pyridinyl)imino]-λ4-sulfane
CID 163657184

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-3-phenylmethoxypyridine?
The IUPAC name of 2-(4-tert-butylphenyl)-3-phenylmethoxypyridine (CID 174613488) is 2-(4-tert-butylphenyl)-3-phenylmethoxypyridine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-3-phenylmethoxypyridine?
The canonical SMILES for 2-(4-tert-butylphenyl)-3-phenylmethoxypyridine is CC(C)(C)c1ccc(-c2ncccc2OCc2ccccc2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-3-phenylmethoxypyridine?
The InChIKey is XHBOQTWXNWLRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO/c1-22(2,3)19-13-11-18(12-14-19)21-20(10-7-15-23-21)24-16-17-8-5-4-6-9-17/h4-15H,16H2,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)-3-phenylmethoxypyridine?
2-(4-tert-butylphenyl)-3-phenylmethoxypyridine has a molecular weight of 317.43 g/mol, XLogP of 5.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-3-phenylmethoxypyridine is sourced from PubChem (CID 174613488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).