3-[(2,4-dimethylphenoxy)methyl]-5-(3,5-dimethylphenyl)pyridine

C22H23NO — CID 42851737

IUPAC3-[(2,4-dimethylphenoxy)methyl]-5-(3,5-dimethylphenyl)pyridine
SMILESCc1cc(C)cc(-c2cncc(COc3ccc(C)cc3C)c2)c1
InChIInChI=1S/C22H23NO/c1-15-5-6-22(18(4)8-15)24-14-19-11-21(13-23-12-19)20-9-16(2)7-17(3)10-20/h5-13H,14H2,1-4H3
InChIKeyZJDLVGSGHKTETN-UHFFFAOYSA-N
MW317.43 g/mol
LogP5.56
Rot. Bonds4

About 3-[(2,4-dimethylphenoxy)methyl]-5-(3,5-dimethylphenyl)pyridine

3-[(2,4-dimethylphenoxy)methyl]-5-(3,5-dimethylphenyl)pyridine (PubChem CID 42851737) has the molecular formula C22H23NO and a molecular weight of 317.43 g/mol. Its IUPAC name is 3-[(2,4-dimethylphenoxy)methyl]-5-(3,5-dimethylphenyl)pyridine.

Molecular Properties

Compound Name3-[(2,4-dimethylphenoxy)methyl]-5-(3,5-dimethylphenyl)pyridine
PubChem CID42851737
Molecular FormulaC22H23NO
Molecular Weight317.43 g/mol
Exact Mass317.18
IUPAC Name3-[(2,4-dimethylphenoxy)methyl]-5-(3,5-dimethylphenyl)pyridine
SMILESCc1cc(C)cc(-c2cncc(COc3ccc(C)cc3C)c2)c1
InChIInChI=1S/C22H23NO/c1-15-5-6-22(18(4)8-15)24-14-19-11-21(13-23-12-19)20-9-16(2)7-17(3)10-20/h5-13H,14H2,1-4H3
InChIKeyZJDLVGSGHKTETN-UHFFFAOYSA-N
XLogP5.56
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 ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,4-dimethylphenoxy)methyl]-5-(3-ethoxyphenyl)pyridine
CID 42851644
3-bromo-5-[(2,4-dimethylphenoxy)methyl]pyridine
CID 115580431
3-(3,5-dimethylphenyl)-5-(phenoxymethyl)pyridine
CID 46044387
3-[(2-chlorophenoxy)methyl]-5-(4-methylphenyl)pyridine
CID 42851667
3-(3,4-dichlorophenyl)-5-[(2-methylphenoxy)methyl]pyridine
CID 42851689
5-[(2,4-dimethylphenoxy)methyl]-N-methylpyridin-2-amine
CID 62193335
3-[3-methyl-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]prop-2-yn-1-ol
CID 102878082
N-methyl-1-[5-methyl-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 102880374
2-methyl-4-(4-methylphenyl)-1-phenylmethoxybenzene
CID 142190093
4-[(2,4-dimethylphenoxy)methyl]benzoate
CID 7017094
4-[3-methyl-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]but-3-yn-1-ol
CID 102878083
3-[[2-(3-chloroprop-1-ynyl)-4-methylphenoxy]methyl]-5-methylpyridine
CID 102878103

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethylphenoxy)methyl]-5-(3,5-dimethylphenyl)pyridine?
The IUPAC name of 3-[(2,4-dimethylphenoxy)methyl]-5-(3,5-dimethylphenyl)pyridine (CID 42851737) is 3-[(2,4-dimethylphenoxy)methyl]-5-(3,5-dimethylphenyl)pyridine.
What is the SMILES notation for 3-[(2,4-dimethylphenoxy)methyl]-5-(3,5-dimethylphenyl)pyridine?
The canonical SMILES for 3-[(2,4-dimethylphenoxy)methyl]-5-(3,5-dimethylphenyl)pyridine is Cc1cc(C)cc(-c2cncc(COc3ccc(C)cc3C)c2)c1.
What is the InChIKey of 3-[(2,4-dimethylphenoxy)methyl]-5-(3,5-dimethylphenyl)pyridine?
The InChIKey is ZJDLVGSGHKTETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO/c1-15-5-6-22(18(4)8-15)24-14-19-11-21(13-23-12-19)20-9-16(2)7-17(3)10-20/h5-13H,14H2,1-4H3.
What are the key properties of 3-[(2,4-dimethylphenoxy)methyl]-5-(3,5-dimethylphenyl)pyridine?
3-[(2,4-dimethylphenoxy)methyl]-5-(3,5-dimethylphenyl)pyridine has a molecular weight of 317.43 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethylphenoxy)methyl]-5-(3,5-dimethylphenyl)pyridine is sourced from PubChem (CID 42851737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).