methyl 2-[4-(pyridin-2-ylmethoxy)phenyl]acetate

C15H15NO3 — CID 23549386

IUPACmethyl 2-[4-(pyridin-2-ylmethoxy)phenyl]acetate
SMILESCOC(=O)Cc1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C15H15NO3/c1-18-15(17)10-12-5-7-14(8-6-12)19-11-13-4-2-3-9-16-13/h2-9H,10-11H2,1H3
InChIKeyNJFGJBZWNZYYIC-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.38
Rot. Bonds5

About methyl 2-[4-(pyridin-2-ylmethoxy)phenyl]acetate

methyl 2-[4-(pyridin-2-ylmethoxy)phenyl]acetate (PubChem CID 23549386) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is methyl 2-[4-(pyridin-2-ylmethoxy)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(pyridin-2-ylmethoxy)phenyl]acetate
PubChem CID23549386
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Namemethyl 2-[4-(pyridin-2-ylmethoxy)phenyl]acetate
SMILESCOC(=O)Cc1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C15H15NO3/c1-18-15(17)10-12-5-7-14(8-6-12)19-11-13-4-2-3-9-16-13/h2-9H,10-11H2,1H3
InChIKeyNJFGJBZWNZYYIC-UHFFFAOYSA-N
XLogP2.38
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(pyridin-2-ylmethoxy)phenyl]acetic acid
CID 18958983
methyl 2-(4-phenylmethoxyphenyl)acetate
CID 2756645
2-[[2-[4-(pyridin-2-ylmethoxy)phenyl]acetyl]amino]acetic acid
CID 101045266
(2S)-4-methyl-2-(propan-2-ylamino)-1-[4-(pyridin-2-ylmethoxy)phenyl]pentan-3-one
CID 59915344
N'-hydroxy-2-[4-(pyridin-2-ylmethoxy)phenyl]ethanimidamide
CID 24703645
methyl 2-[4-(1-pyridin-2-ylethoxy)phenyl]acetate
CID 117095036
methyl 1-[4-(pyridin-2-ylmethoxy)phenyl]cyclopropane-1-carboxylate
CID 169171763
methyl 2-phenylacetate;pyridine
CID 22282999
2-methyl-2-methylsulfanyl-4-[4-(pyridin-2-ylmethoxy)phenyl]butanamide
CID 123858091
(2-methoxy-2-oxoethyl) 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate
CID 14500249
1,5-dimethyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrazole-4-carboxamide
CID 87047264
N-methyl-2-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]pyridine-3-carboxamide
CID 71996721

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(pyridin-2-ylmethoxy)phenyl]acetate?
The IUPAC name of methyl 2-[4-(pyridin-2-ylmethoxy)phenyl]acetate (CID 23549386) is methyl 2-[4-(pyridin-2-ylmethoxy)phenyl]acetate.
What is the SMILES notation for methyl 2-[4-(pyridin-2-ylmethoxy)phenyl]acetate?
The canonical SMILES for methyl 2-[4-(pyridin-2-ylmethoxy)phenyl]acetate is COC(=O)Cc1ccc(OCc2ccccn2)cc1.
What is the InChIKey of methyl 2-[4-(pyridin-2-ylmethoxy)phenyl]acetate?
The InChIKey is NJFGJBZWNZYYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-18-15(17)10-12-5-7-14(8-6-12)19-11-13-4-2-3-9-16-13/h2-9H,10-11H2,1H3.
What are the key properties of methyl 2-[4-(pyridin-2-ylmethoxy)phenyl]acetate?
methyl 2-[4-(pyridin-2-ylmethoxy)phenyl]acetate has a molecular weight of 257.29 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(pyridin-2-ylmethoxy)phenyl]acetate is sourced from PubChem (CID 23549386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).