methyl 2-(2-methylphenyl)-6-phenylmethoxypyridine-4-carboxylate

C21H19NO3 — CID 165437550

IUPACmethyl 2-(2-methylphenyl)-6-phenylmethoxypyridine-4-carboxylate
SMILESCOC(=O)c1cc(OCc2ccccc2)nc(-c2ccccc2C)c1
InChIInChI=1S/C21H19NO3/c1-15-8-6-7-11-18(15)19-12-17(21(23)24-2)13-20(22-19)25-14-16-9-4-3-5-10-16/h3-13H,14H2,1-2H3
InChIKeyLHTQPJQEJLRGDB-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.42
Rot. Bonds5

About methyl 2-(2-methylphenyl)-6-phenylmethoxypyridine-4-carboxylate

methyl 2-(2-methylphenyl)-6-phenylmethoxypyridine-4-carboxylate (PubChem CID 165437550) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is methyl 2-(2-methylphenyl)-6-phenylmethoxypyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-methylphenyl)-6-phenylmethoxypyridine-4-carboxylate
PubChem CID165437550
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Namemethyl 2-(2-methylphenyl)-6-phenylmethoxypyridine-4-carboxylate
SMILESCOC(=O)c1cc(OCc2ccccc2)nc(-c2ccccc2C)c1
InChIInChI=1S/C21H19NO3/c1-15-8-6-7-11-18(15)19-12-17(21(23)24-2)13-20(22-19)25-14-16-9-4-3-5-10-16/h3-13H,14H2,1-2H3
InChIKeyLHTQPJQEJLRGDB-UHFFFAOYSA-N
XLogP4.42
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-methoxy-4-methyl-5-phenylmethoxybenzoate
CID 11414943
dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 7643390
methyl 6-(2-methylphenyl)pyrimidine-4-carboxylate
CID 122239270
N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate
CID 145103744
methyl 3-iodo-5-methoxy-4-phenylmethoxybenzoate
CID 91689901
methyl 4-(6-phenylmethoxy-3-pyridinyl)benzoate
CID 58748868
methyl 3,5-bis[(3,4-dimethyl-5-phenylmethoxyphenyl)methoxy]-4-[(3,4,5-trimethylphenyl)methoxy]benzoate
CID 90391979
methyl 3-phenylmethoxyquinoline-7-carboxylate
CID 166128416
methyl 2-(2-methylphenyl)imidazo[1,2-a]pyridine-7-carboxylate
CID 117135442
methyl 3-chloro-5-phenylmethoxybenzoate
CID 70086004
methyl 3-(hydroxymethyl)-5-phenylmethoxybenzoate
CID 24813623
methyl 5-phenylmethoxypyridine-3-carboxylate
CID 57421820

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methylphenyl)-6-phenylmethoxypyridine-4-carboxylate?
The IUPAC name of methyl 2-(2-methylphenyl)-6-phenylmethoxypyridine-4-carboxylate (CID 165437550) is methyl 2-(2-methylphenyl)-6-phenylmethoxypyridine-4-carboxylate.
What is the SMILES notation for methyl 2-(2-methylphenyl)-6-phenylmethoxypyridine-4-carboxylate?
The canonical SMILES for methyl 2-(2-methylphenyl)-6-phenylmethoxypyridine-4-carboxylate is COC(=O)c1cc(OCc2ccccc2)nc(-c2ccccc2C)c1.
What is the InChIKey of methyl 2-(2-methylphenyl)-6-phenylmethoxypyridine-4-carboxylate?
The InChIKey is LHTQPJQEJLRGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c1-15-8-6-7-11-18(15)19-12-17(21(23)24-2)13-20(22-19)25-14-16-9-4-3-5-10-16/h3-13H,14H2,1-2H3.
What are the key properties of methyl 2-(2-methylphenyl)-6-phenylmethoxypyridine-4-carboxylate?
methyl 2-(2-methylphenyl)-6-phenylmethoxypyridine-4-carboxylate has a molecular weight of 333.39 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methylphenyl)-6-phenylmethoxypyridine-4-carboxylate is sourced from PubChem (CID 165437550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).