methyl 3-[4-[(3-pyridin-2-ylphenyl)methoxy]phenyl]propanoate

C22H21NO3 — CID 23159922

IUPACmethyl 3-[4-[(3-pyridin-2-ylphenyl)methoxy]phenyl]propanoate
SMILESCOC(=O)CCc1ccc(OCc2cccc(-c3ccccn3)c2)cc1
InChIInChI=1S/C22H21NO3/c1-25-22(24)13-10-17-8-11-20(12-9-17)26-16-18-5-4-6-19(15-18)21-7-2-3-14-23-21/h2-9,11-12,14-15H,10,13,16H2,1H3
InChIKeyGXTASGUUPMJBSV-UHFFFAOYSA-N
MW347.41 g/mol
LogP4.43
Rot. Bonds7

About methyl 3-[4-[(3-pyridin-2-ylphenyl)methoxy]phenyl]propanoate

methyl 3-[4-[(3-pyridin-2-ylphenyl)methoxy]phenyl]propanoate (PubChem CID 23159922) has the molecular formula C22H21NO3 and a molecular weight of 347.41 g/mol. Its IUPAC name is methyl 3-[4-[(3-pyridin-2-ylphenyl)methoxy]phenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-[(3-pyridin-2-ylphenyl)methoxy]phenyl]propanoate
PubChem CID23159922
Molecular FormulaC22H21NO3
Molecular Weight347.41 g/mol
Exact Mass347.15
IUPAC Namemethyl 3-[4-[(3-pyridin-2-ylphenyl)methoxy]phenyl]propanoate
SMILESCOC(=O)CCc1ccc(OCc2cccc(-c3ccccn3)c2)cc1
InChIInChI=1S/C22H21NO3/c1-25-22(24)13-10-17-8-11-20(12-9-17)26-16-18-5-4-6-19(15-18)21-7-2-3-14-23-21/h2-9,11-12,14-15H,10,13,16H2,1H3
InChIKeyGXTASGUUPMJBSV-UHFFFAOYSA-N
XLogP4.43
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[4-[[3-(4-hydroxy-2,6-dimethylphenyl)phenyl]methoxy]phenyl]propanoate
CID 57413460
methyl 3-[4-[[3-(2-ethoxyphenyl)phenyl]methoxy]phenyl]propanoate
CID 23083192
methyl 3-[4-[[3-[2-methyl-4-(3-pyridin-2-ylpropoxy)phenyl]phenyl]methoxy]phenyl]propanoate
CID 58903135
methyl 3-[4-[(3-bromophenyl)methoxy]phenyl]propanoate
CID 23136270
methyl 3-[4-[[3-(1-benzothiophen-3-yl)phenyl]methoxy]phenyl]propanoate
CID 23159874
methyl 3-(4-phenylmethoxyphenyl)propanoate;3-(4-phenylmethoxyphenyl)propanoic acid
CID 161360857
methyl hypoiodite;methyl 3-(4-phenylmethoxyphenyl)propanoate
CID 142194241
methyl 3-[4-[[3-(4-fluoro-2-methylphenyl)phenyl]methoxy]phenyl]propanoate
CID 58903192
methyl 3-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]propanoate
CID 58944756
ethane;methyl 3-[4-[(2-phenylpyrimidin-4-yl)methoxy]phenyl]propanoate
CID 123182715
methyl 3-[4-[[4-[(2E)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate
CID 86695725
methyl 3-[4-[(4-aminophenyl)methoxy]phenyl]propanoate
CID 23143251

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[(3-pyridin-2-ylphenyl)methoxy]phenyl]propanoate?
The IUPAC name of methyl 3-[4-[(3-pyridin-2-ylphenyl)methoxy]phenyl]propanoate (CID 23159922) is methyl 3-[4-[(3-pyridin-2-ylphenyl)methoxy]phenyl]propanoate.
What is the SMILES notation for methyl 3-[4-[(3-pyridin-2-ylphenyl)methoxy]phenyl]propanoate?
The canonical SMILES for methyl 3-[4-[(3-pyridin-2-ylphenyl)methoxy]phenyl]propanoate is COC(=O)CCc1ccc(OCc2cccc(-c3ccccn3)c2)cc1.
What is the InChIKey of methyl 3-[4-[(3-pyridin-2-ylphenyl)methoxy]phenyl]propanoate?
The InChIKey is GXTASGUUPMJBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3/c1-25-22(24)13-10-17-8-11-20(12-9-17)26-16-18-5-4-6-19(15-18)21-7-2-3-14-23-21/h2-9,11-12,14-15H,10,13,16H2,1H3.
What are the key properties of methyl 3-[4-[(3-pyridin-2-ylphenyl)methoxy]phenyl]propanoate?
methyl 3-[4-[(3-pyridin-2-ylphenyl)methoxy]phenyl]propanoate has a molecular weight of 347.41 g/mol, XLogP of 4.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[(3-pyridin-2-ylphenyl)methoxy]phenyl]propanoate is sourced from PubChem (CID 23159922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).