methyl 2-phenyl-4-(pyridin-3-ylmethoxy)benzoate

C20H17NO3 — CID 10805572

IUPACmethyl 2-phenyl-4-(pyridin-3-ylmethoxy)benzoate
SMILESCOC(=O)c1ccc(OCc2cccnc2)cc1-c1ccccc1
InChIInChI=1S/C20H17NO3/c1-23-20(22)18-10-9-17(24-14-15-6-5-11-21-13-15)12-19(18)16-7-3-2-4-8-16/h2-13H,14H2,1H3
InChIKeyAEANOVBFHRCPIO-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.11
Rot. Bonds5

About methyl 2-phenyl-4-(pyridin-3-ylmethoxy)benzoate

methyl 2-phenyl-4-(pyridin-3-ylmethoxy)benzoate (PubChem CID 10805572) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is methyl 2-phenyl-4-(pyridin-3-ylmethoxy)benzoate.

Molecular Properties

Compound Namemethyl 2-phenyl-4-(pyridin-3-ylmethoxy)benzoate
PubChem CID10805572
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Namemethyl 2-phenyl-4-(pyridin-3-ylmethoxy)benzoate
SMILESCOC(=O)c1ccc(OCc2cccnc2)cc1-c1ccccc1
InChIInChI=1S/C20H17NO3/c1-23-20(22)18-10-9-17(24-14-15-6-5-11-21-13-15)12-19(18)16-7-3-2-4-8-16/h2-13H,14H2,1H3
InChIKeyAEANOVBFHRCPIO-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

ethyl 2-pyridin-4-yl-4-(pyridin-3-ylmethoxy)benzoate
CID 139890718
2-amino-4-methylsulfanyl-2-[2-phenyl-4-(pyridin-3-ylmethoxy)benzoyl]butanoic acid
CID 23436113
methyl 2-methyl-4-phenylmethoxybenzoate
CID 21194710
methyl 2-amino-5-(3-phenylmethoxyphenyl)pyridine-4-carboxylate
CID 172649588
methyl 5-(pyridin-3-ylmethoxy)-1-benzothiophene-2-carboxylate
CID 54467787
ethane;methyl 4-methyl-2-pyridin-3-ylbenzoate
CID 142338592
methyl 4-(pyridin-3-yloxymethyl)-2-[2-(trifluoromethyl)phenyl]benzoate
CID 10810240
[3-(pyridin-3-ylmethoxy)phenyl] benzoate
CID 11460927
2-(4-phenylphenyl)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 52655964
3-(phenoxymethyl)pyridine;hydrochloride
CID 157085776
methyl 2-methyl-4-phenylmethoxybenzoate;2-methyl-4-phenylmethoxybenzoic acid
CID 159295589
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542

Frequently Asked Questions

What is the IUPAC name of methyl 2-phenyl-4-(pyridin-3-ylmethoxy)benzoate?
The IUPAC name of methyl 2-phenyl-4-(pyridin-3-ylmethoxy)benzoate (CID 10805572) is methyl 2-phenyl-4-(pyridin-3-ylmethoxy)benzoate.
What is the SMILES notation for methyl 2-phenyl-4-(pyridin-3-ylmethoxy)benzoate?
The canonical SMILES for methyl 2-phenyl-4-(pyridin-3-ylmethoxy)benzoate is COC(=O)c1ccc(OCc2cccnc2)cc1-c1ccccc1.
What is the InChIKey of methyl 2-phenyl-4-(pyridin-3-ylmethoxy)benzoate?
The InChIKey is AEANOVBFHRCPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c1-23-20(22)18-10-9-17(24-14-15-6-5-11-21-13-15)12-19(18)16-7-3-2-4-8-16/h2-13H,14H2,1H3.
What are the key properties of methyl 2-phenyl-4-(pyridin-3-ylmethoxy)benzoate?
methyl 2-phenyl-4-(pyridin-3-ylmethoxy)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 2-phenyl-4-(pyridin-3-ylmethoxy)benzoate is sourced from PubChem (CID 10805572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).