methyl 2-[(3-naphthalen-2-yl-4-pyridinyl)oxy]acetate

C18H15NO3 — CID 164619070

IUPACmethyl 2-[(3-naphthalen-2-yl-4-pyridinyl)oxy]acetate
SMILESCOC(=O)COc1ccncc1-c1ccc2ccccc2c1
InChIInChI=1S/C18H15NO3/c1-21-18(20)12-22-17-8-9-19-11-16(17)15-7-6-13-4-2-3-5-14(13)10-15/h2-11H,12H2,1H3
InChIKeyYTTUHELXIOESME-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.45
Rot. Bonds4

About methyl 2-[(3-naphthalen-2-yl-4-pyridinyl)oxy]acetate

methyl 2-[(3-naphthalen-2-yl-4-pyridinyl)oxy]acetate (PubChem CID 164619070) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is methyl 2-[(3-naphthalen-2-yl-4-pyridinyl)oxy]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-naphthalen-2-yl-4-pyridinyl)oxy]acetate
PubChem CID164619070
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Namemethyl 2-[(3-naphthalen-2-yl-4-pyridinyl)oxy]acetate
SMILESCOC(=O)COc1ccncc1-c1ccc2ccccc2c1
InChIInChI=1S/C18H15NO3/c1-21-18(20)12-22-17-8-9-19-11-16(17)15-7-6-13-4-2-3-5-14(13)10-15/h2-11H,12H2,1H3
InChIKeyYTTUHELXIOESME-UHFFFAOYSA-N
XLogP3.45
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-naphthalen-2-yl-4-pyridinyl)oxy]acetate?
The IUPAC name of methyl 2-[(3-naphthalen-2-yl-4-pyridinyl)oxy]acetate (CID 164619070) is methyl 2-[(3-naphthalen-2-yl-4-pyridinyl)oxy]acetate.
What is the SMILES notation for methyl 2-[(3-naphthalen-2-yl-4-pyridinyl)oxy]acetate?
The canonical SMILES for methyl 2-[(3-naphthalen-2-yl-4-pyridinyl)oxy]acetate is COC(=O)COc1ccncc1-c1ccc2ccccc2c1.
What is the InChIKey of methyl 2-[(3-naphthalen-2-yl-4-pyridinyl)oxy]acetate?
The InChIKey is YTTUHELXIOESME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-21-18(20)12-22-17-8-9-19-11-16(17)15-7-6-13-4-2-3-5-14(13)10-15/h2-11H,12H2,1H3.
What are the key properties of methyl 2-[(3-naphthalen-2-yl-4-pyridinyl)oxy]acetate?
methyl 2-[(3-naphthalen-2-yl-4-pyridinyl)oxy]acetate has a molecular weight of 293.32 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-naphthalen-2-yl-4-pyridinyl)oxy]acetate is sourced from PubChem (CID 164619070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).