methyl 2-[4-(1-pyridin-2-ylethoxy)phenyl]acetate

C16H17NO3 — CID 117095036

IUPACmethyl 2-[4-(1-pyridin-2-ylethoxy)phenyl]acetate
SMILESCOC(=O)Cc1ccc(OC(C)c2ccccn2)cc1
InChIInChI=1S/C16H17NO3/c1-12(15-5-3-4-10-17-15)20-14-8-6-13(7-9-14)11-16(18)19-2/h3-10,12H,11H2,1-2H3
InChIKeySVEZZRJAYXPYKZ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.94
Rot. Bonds5

About methyl 2-[4-(1-pyridin-2-ylethoxy)phenyl]acetate

methyl 2-[4-(1-pyridin-2-ylethoxy)phenyl]acetate (PubChem CID 117095036) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is methyl 2-[4-(1-pyridin-2-ylethoxy)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(1-pyridin-2-ylethoxy)phenyl]acetate
PubChem CID117095036
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Namemethyl 2-[4-(1-pyridin-2-ylethoxy)phenyl]acetate
SMILESCOC(=O)Cc1ccc(OC(C)c2ccccn2)cc1
InChIInChI=1S/C16H17NO3/c1-12(15-5-3-4-10-17-15)20-14-8-6-13(7-9-14)11-16(18)19-2/h3-10,12H,11H2,1-2H3
InChIKeySVEZZRJAYXPYKZ-UHFFFAOYSA-N
XLogP2.94
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(1-pyridin-2-ylethoxy)benzoate
CID 68727423
4-(1-pyridin-2-ylethoxy)benzoyl chloride
CID 86648380
2-[(1R)-1-phenoxyethyl]pyridine
CID 15893448
methyl 2-[4-(pyridin-2-ylmethoxy)phenyl]acetate
CID 23549386
methyl 2-[4-[(2R)-2-aminopropoxy]phenyl]acetate
CID 22867083
2-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 42907688
methyl 2-phenylacetate;pyridine
CID 22282999
1-[3-(1-pyridin-2-ylethoxy)phenyl]ethanone
CID 82037403
2-(4-methylphenyl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 25337547
1-pyridin-2-ylethyl propanoate
CID 141268318
methyl 2-(4-phenylmethoxyphenyl)acetate
CID 2756645
methyl 3-[[(1S)-1-pyridin-2-ylethyl]amino]propanoate
CID 81401680

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(1-pyridin-2-ylethoxy)phenyl]acetate?
The IUPAC name of methyl 2-[4-(1-pyridin-2-ylethoxy)phenyl]acetate (CID 117095036) is methyl 2-[4-(1-pyridin-2-ylethoxy)phenyl]acetate.
What is the SMILES notation for methyl 2-[4-(1-pyridin-2-ylethoxy)phenyl]acetate?
The canonical SMILES for methyl 2-[4-(1-pyridin-2-ylethoxy)phenyl]acetate is COC(=O)Cc1ccc(OC(C)c2ccccn2)cc1.
What is the InChIKey of methyl 2-[4-(1-pyridin-2-ylethoxy)phenyl]acetate?
The InChIKey is SVEZZRJAYXPYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-12(15-5-3-4-10-17-15)20-14-8-6-13(7-9-14)11-16(18)19-2/h3-10,12H,11H2,1-2H3.
What are the key properties of methyl 2-[4-(1-pyridin-2-ylethoxy)phenyl]acetate?
methyl 2-[4-(1-pyridin-2-ylethoxy)phenyl]acetate has a molecular weight of 271.32 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(1-pyridin-2-ylethoxy)phenyl]acetate is sourced from PubChem (CID 117095036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).