methyl 4-(6-phenylmethoxy-3-pyridinyl)benzoate

C20H17NO3 — CID 58748868

IUPACmethyl 4-(6-phenylmethoxy-3-pyridinyl)benzoate
SMILESCOC(=O)c1ccc(-c2ccc(OCc3ccccc3)nc2)cc1
InChIInChI=1S/C20H17NO3/c1-23-20(22)17-9-7-16(8-10-17)18-11-12-19(21-13-18)24-14-15-5-3-2-4-6-15/h2-13H,14H2,1H3
InChIKeyNSNZHIKSXFIVIJ-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.11
Rot. Bonds5

About methyl 4-(6-phenylmethoxy-3-pyridinyl)benzoate

methyl 4-(6-phenylmethoxy-3-pyridinyl)benzoate (PubChem CID 58748868) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is methyl 4-(6-phenylmethoxy-3-pyridinyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(6-phenylmethoxy-3-pyridinyl)benzoate
PubChem CID58748868
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Namemethyl 4-(6-phenylmethoxy-3-pyridinyl)benzoate
SMILESCOC(=O)c1ccc(-c2ccc(OCc3ccccc3)nc2)cc1
InChIInChI=1S/C20H17NO3/c1-23-20(22)17-9-7-16(8-10-17)18-11-12-19(21-13-18)24-14-15-5-3-2-4-6-15/h2-13H,14H2,1H3
InChIKeyNSNZHIKSXFIVIJ-UHFFFAOYSA-N
XLogP4.11
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-[(4-phenylphenyl)methoxy]pyridine-3-carboxylate
CID 18508353
methyl 6-[(4-fluorophenyl)methoxy]pyridine-3-carboxylate
CID 58368225
4-O-benzyl 1-O-methyl benzene-1,4-dicarboxylate
CID 595908
methyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 11681743
methyl 6-[(4-ethenylphenyl)methoxy]pyridine-3-carboxylate
CID 59042084
methyl 4-[[(4-phenylmethoxybenzoyl)amino]carbamoyl]benzoate
CID 17178415
methyl 4-(2-methylpyrimidin-5-yl)benzoate
CID 90375403
methyl 5-phenylmethoxypyridine-3-carboxylate
CID 57421820
methyl 4-[(6-phenylmethoxypyrimidine-4-carbonyl)amino]benzoate
CID 121167799
dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 7643390
methyl 6-fluoro-5-phenylmethoxypyridine-3-carboxylate
CID 164892253
methyl 4-[(6-chloro-2-pyridinyl)oxymethyl]benzoate
CID 156540912

Frequently Asked Questions

What is the IUPAC name of methyl 4-(6-phenylmethoxy-3-pyridinyl)benzoate?
The IUPAC name of methyl 4-(6-phenylmethoxy-3-pyridinyl)benzoate (CID 58748868) is methyl 4-(6-phenylmethoxy-3-pyridinyl)benzoate.
What is the SMILES notation for methyl 4-(6-phenylmethoxy-3-pyridinyl)benzoate?
The canonical SMILES for methyl 4-(6-phenylmethoxy-3-pyridinyl)benzoate is COC(=O)c1ccc(-c2ccc(OCc3ccccc3)nc2)cc1.
What is the InChIKey of methyl 4-(6-phenylmethoxy-3-pyridinyl)benzoate?
The InChIKey is NSNZHIKSXFIVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c1-23-20(22)17-9-7-16(8-10-17)18-11-12-19(21-13-18)24-14-15-5-3-2-4-6-15/h2-13H,14H2,1H3.
What are the key properties of methyl 4-(6-phenylmethoxy-3-pyridinyl)benzoate?
methyl 4-(6-phenylmethoxy-3-pyridinyl)benzoate has a molecular weight of 319.36 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(6-phenylmethoxy-3-pyridinyl)benzoate is sourced from PubChem (CID 58748868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).