(2-methoxy-5-methylphenyl)methyl 2-phenoxypyridine-3-carboxylate

C21H19NO4 — CID 18197147

IUPAC(2-methoxy-5-methylphenyl)methyl 2-phenoxypyridine-3-carboxylate
SMILESCOc1ccc(C)cc1COC(=O)c1cccnc1Oc1ccccc1
InChIInChI=1S/C21H19NO4/c1-15-10-11-19(24-2)16(13-15)14-25-21(23)18-9-6-12-22-20(18)26-17-7-4-3-5-8-17/h3-13H,14H2,1-2H3
InChIKeyXKNWKWHGFPHMOK-UHFFFAOYSA-N
MW349.39 g/mol
LogP4.55
Rot. Bonds6

About (2-methoxy-5-methylphenyl)methyl 2-phenoxypyridine-3-carboxylate

(2-methoxy-5-methylphenyl)methyl 2-phenoxypyridine-3-carboxylate (PubChem CID 18197147) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is (2-methoxy-5-methylphenyl)methyl 2-phenoxypyridine-3-carboxylate.

Molecular Properties

Compound Name(2-methoxy-5-methylphenyl)methyl 2-phenoxypyridine-3-carboxylate
PubChem CID18197147
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC Name(2-methoxy-5-methylphenyl)methyl 2-phenoxypyridine-3-carboxylate
SMILESCOc1ccc(C)cc1COC(=O)c1cccnc1Oc1ccccc1
InChIInChI=1S/C21H19NO4/c1-15-10-11-19(24-2)16(13-15)14-25-21(23)18-9-6-12-22-20(18)26-17-7-4-3-5-8-17/h3-13H,14H2,1-2H3
InChIKeyXKNWKWHGFPHMOK-UHFFFAOYSA-N
XLogP4.55
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-phenoxypyridine-3-carboxylate
CID 18171085
(2-methoxy-5-methylphenyl)methyl 2-aminobenzoate
CID 60730510
[2-[2-(difluoromethoxy)-5-methylphenyl]-2-oxoethyl] 2-phenoxypyridine-3-carboxylate
CID 16617205
(3-methylquinoxalin-2-yl)methyl 2-phenoxypyridine-3-carboxylate
CID 18171096
(2-methoxy-5-methylphenyl)methyl 2,4-dihydroxybenzoate
CID 8954351
(2-methoxy-5-methylphenyl)methyl 2-acetamido-3-methylbenzoate
CID 18169991
(2-methoxy-5-methylphenyl)methyl 2-phenylquinoline-4-carboxylate
CID 7603582
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-phenoxypyridine-3-carboxylate
CID 55355394
(2-methoxy-5-methylphenyl)methyl 9,10-dioxoanthracene-1-carboxylate
CID 8867472
2-(2-fluorophenoxy)ethyl 2-phenoxypyridine-3-carboxylate
CID 39902767
ethyl 2-(3-formylphenoxy)pyridine-3-carboxylate
CID 54074518
ethyl 2-[3-(trifluoromethoxy)phenoxy]pyridine-3-carboxylate
CID 54292965

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-5-methylphenyl)methyl 2-phenoxypyridine-3-carboxylate?
The IUPAC name of (2-methoxy-5-methylphenyl)methyl 2-phenoxypyridine-3-carboxylate (CID 18197147) is (2-methoxy-5-methylphenyl)methyl 2-phenoxypyridine-3-carboxylate.
What is the SMILES notation for (2-methoxy-5-methylphenyl)methyl 2-phenoxypyridine-3-carboxylate?
The canonical SMILES for (2-methoxy-5-methylphenyl)methyl 2-phenoxypyridine-3-carboxylate is COc1ccc(C)cc1COC(=O)c1cccnc1Oc1ccccc1.
What is the InChIKey of (2-methoxy-5-methylphenyl)methyl 2-phenoxypyridine-3-carboxylate?
The InChIKey is XKNWKWHGFPHMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4/c1-15-10-11-19(24-2)16(13-15)14-25-21(23)18-9-6-12-22-20(18)26-17-7-4-3-5-8-17/h3-13H,14H2,1-2H3.
What are the key properties of (2-methoxy-5-methylphenyl)methyl 2-phenoxypyridine-3-carboxylate?
(2-methoxy-5-methylphenyl)methyl 2-phenoxypyridine-3-carboxylate has a molecular weight of 349.39 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-5-methylphenyl)methyl 2-phenoxypyridine-3-carboxylate is sourced from PubChem (CID 18197147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).