methyl 4-[4-(6-methoxy-2-pyridinyl)phenyl]benzoate

C20H17NO3 — CID 171697651

IUPACmethyl 4-[4-(6-methoxy-2-pyridinyl)phenyl]benzoate
SMILESCOC(=O)c1ccc(-c2ccc(-c3cccc(OC)n3)cc2)cc1
InChIInChI=1S/C20H17NO3/c1-23-19-5-3-4-18(21-19)16-10-6-14(7-11-16)15-8-12-17(13-9-15)20(22)24-2/h3-13H,1-2H3
InChIKeyCQSHMGGGUQMNGZ-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.21
Rot. Bonds4

About methyl 4-[4-(6-methoxy-2-pyridinyl)phenyl]benzoate

methyl 4-[4-(6-methoxy-2-pyridinyl)phenyl]benzoate (PubChem CID 171697651) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is methyl 4-[4-(6-methoxy-2-pyridinyl)phenyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[4-(6-methoxy-2-pyridinyl)phenyl]benzoate
PubChem CID171697651
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Namemethyl 4-[4-(6-methoxy-2-pyridinyl)phenyl]benzoate
SMILESCOC(=O)c1ccc(-c2ccc(-c3cccc(OC)n3)cc2)cc1
InChIInChI=1S/C20H17NO3/c1-23-19-5-3-4-18(21-19)16-10-6-14(7-11-16)15-8-12-17(13-9-15)20(22)24-2/h3-13H,1-2H3
InChIKeyCQSHMGGGUQMNGZ-UHFFFAOYSA-N
XLogP4.21
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

iron;methyl 4-(4-methoxycarbonylphenyl)benzoate
CID 159353152
methyl 2-(bromomethyl)-4-(6-methoxy-2-pyridinyl)benzoate
CID 171545847
4-ethynyl-N-[1-[4-[6-(6-methoxy-2-pyridinyl)-2-pyridinyl]phenyl]cyclopropyl]benzamide
CID 155316047
methyl 4-(2-amino-1,3-thiazol-4-yl)benzoate
CID 2060012
methyl 4-[4-[4-(4-chlorophenyl)phenyl]phenyl]benzoate
CID 71713147
dimethyl 5-(4-methoxycarbonylphenyl)benzene-1,3-dicarboxylate
CID 118103022
methyl 2-phenylazulene-6-carboxylate
CID 23257786
4-(6-methoxy-2-pyridinyl)-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide
CID 118767079
methyl 4-(6-hydroxyquinolin-2-yl)benzoate
CID 66980069
methyl 4-methylbenzoate
CID 91113291
methyl 4-methylbenzoate
CID 7455
anisole;methyl 4-methoxybenzoate
CID 158093995

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-(6-methoxy-2-pyridinyl)phenyl]benzoate?
The IUPAC name of methyl 4-[4-(6-methoxy-2-pyridinyl)phenyl]benzoate (CID 171697651) is methyl 4-[4-(6-methoxy-2-pyridinyl)phenyl]benzoate.
What is the SMILES notation for methyl 4-[4-(6-methoxy-2-pyridinyl)phenyl]benzoate?
The canonical SMILES for methyl 4-[4-(6-methoxy-2-pyridinyl)phenyl]benzoate is COC(=O)c1ccc(-c2ccc(-c3cccc(OC)n3)cc2)cc1.
What is the InChIKey of methyl 4-[4-(6-methoxy-2-pyridinyl)phenyl]benzoate?
The InChIKey is CQSHMGGGUQMNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c1-23-19-5-3-4-18(21-19)16-10-6-14(7-11-16)15-8-12-17(13-9-15)20(22)24-2/h3-13H,1-2H3.
What are the key properties of methyl 4-[4-(6-methoxy-2-pyridinyl)phenyl]benzoate?
methyl 4-[4-(6-methoxy-2-pyridinyl)phenyl]benzoate has a molecular weight of 319.36 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-(6-methoxy-2-pyridinyl)phenyl]benzoate is sourced from PubChem (CID 171697651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).