methyl 2-(2-cyanophenoxy)propanoate

C11H11NO3 — CID 21465360

IUPACmethyl 2-(2-cyanophenoxy)propanoate
SMILESCOC(=O)C(C)Oc1ccccc1C#N
InChIInChI=1S/C11H11NO3/c1-8(11(13)14-2)15-10-6-4-3-5-9(10)7-12/h3-6,8H,1-2H3
InChIKeyHASLEDSCGMZUTL-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.50
Rot. Bonds3

About methyl 2-(2-cyanophenoxy)propanoate

methyl 2-(2-cyanophenoxy)propanoate (PubChem CID 21465360) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is methyl 2-(2-cyanophenoxy)propanoate.

Molecular Properties

Compound Namemethyl 2-(2-cyanophenoxy)propanoate
PubChem CID21465360
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Namemethyl 2-(2-cyanophenoxy)propanoate
SMILESCOC(=O)C(C)Oc1ccccc1C#N
InChIInChI=1S/C11H11NO3/c1-8(11(13)14-2)15-10-6-4-3-5-9(10)7-12/h3-6,8H,1-2H3
InChIKeyHASLEDSCGMZUTL-UHFFFAOYSA-N
XLogP1.50
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl]oxybenzonitrile
CID 7560443
3,3-dimethylbutyl 2-(2-cyanophenoxy)propanoate
CID 78858515
2-(2-cyanophenoxy)-N-methylsulfonylpropanamide
CID 47232876
N-(2-amino-2-oxoethoxy)-2-(2-cyanophenoxy)propanamide
CID 112550843
methyl 3-(2-cyanophenoxy)butanoate
CID 43536058
methyl 2-(2-ethylphenoxy)propanoate
CID 60643103
methyl (2R)-2-(2-ethylphenoxy)propanoate
CID 103337851
2-(2-cyanophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83030552
ethyl N-[[(2S)-2-(2-cyanophenoxy)propanoyl]amino]carbamate
CID 37002364
methyl 2-[2-(2-cyanophenoxy)propanoyl-methylamino]acetate
CID 43423964
methyl 2-(3-chloro-2-cyanophenoxy)propanoate
CID 114322384
methyl 2-[(3-cyano-2-pyridinyl)oxy]propanoate
CID 117096453

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-cyanophenoxy)propanoate?
The IUPAC name of methyl 2-(2-cyanophenoxy)propanoate (CID 21465360) is methyl 2-(2-cyanophenoxy)propanoate.
What is the SMILES notation for methyl 2-(2-cyanophenoxy)propanoate?
The canonical SMILES for methyl 2-(2-cyanophenoxy)propanoate is COC(=O)C(C)Oc1ccccc1C#N.
What is the InChIKey of methyl 2-(2-cyanophenoxy)propanoate?
The InChIKey is HASLEDSCGMZUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-8(11(13)14-2)15-10-6-4-3-5-9(10)7-12/h3-6,8H,1-2H3.
What are the key properties of methyl 2-(2-cyanophenoxy)propanoate?
methyl 2-(2-cyanophenoxy)propanoate has a molecular weight of 205.21 g/mol, XLogP of 1.50, 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)propanoate is sourced from PubChem (CID 21465360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).