methyl 2-(2-cyanophenoxy)acetate

C10H9NO3 — CID 1472933

IUPACmethyl 2-(2-cyanophenoxy)acetate
SMILESCOC(=O)COc1ccccc1C#N
InChIInChI=1S/C10H9NO3/c1-13-10(12)7-14-9-5-3-2-4-8(9)6-11/h2-5H,7H2,1H3
InChIKeyWBGOKMZCLMNFQO-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.11
Rot. Bonds3

About methyl 2-(2-cyanophenoxy)acetate

methyl 2-(2-cyanophenoxy)acetate (PubChem CID 1472933) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is methyl 2-(2-cyanophenoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(2-cyanophenoxy)acetate
PubChem CID1472933
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Namemethyl 2-(2-cyanophenoxy)acetate
SMILESCOC(=O)COc1ccccc1C#N
InChIInChI=1S/C10H9NO3/c1-13-10(12)7-14-9-5-3-2-4-8(9)6-11/h2-5H,7H2,1H3
InChIKeyWBGOKMZCLMNFQO-UHFFFAOYSA-N
XLogP1.11
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-cyanophenoxy)acetate?
The IUPAC name of methyl 2-(2-cyanophenoxy)acetate (CID 1472933) is methyl 2-(2-cyanophenoxy)acetate.
What is the SMILES notation for methyl 2-(2-cyanophenoxy)acetate?
The canonical SMILES for methyl 2-(2-cyanophenoxy)acetate is COC(=O)COc1ccccc1C#N.
What is the InChIKey of methyl 2-(2-cyanophenoxy)acetate?
The InChIKey is WBGOKMZCLMNFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-13-10(12)7-14-9-5-3-2-4-8(9)6-11/h2-5H,7H2,1H3.
What are the key properties of methyl 2-(2-cyanophenoxy)acetate?
methyl 2-(2-cyanophenoxy)acetate has a molecular weight of 191.19 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-cyanophenoxy)acetate is sourced from PubChem (CID 1472933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).