3-(3-cyano-5-methoxyphenoxy)propanoic acid

C11H11NO4 — CID 103566186

IUPAC3-(3-cyano-5-methoxyphenoxy)propanoic acid
SMILESCOc1cc(C#N)cc(OCCC(=O)O)c1
InChIInChI=1S/C11H11NO4/c1-15-9-4-8(7-12)5-10(6-9)16-3-2-11(13)14/h4-6H,2-3H2,1H3,(H,13,14)
InChIKeyYLEVOJDOYBYJKB-UHFFFAOYSA-N
MW221.21 g/mol
LogP1.42
Rot. Bonds5

About 3-(3-cyano-5-methoxyphenoxy)propanoic acid

3-(3-cyano-5-methoxyphenoxy)propanoic acid (PubChem CID 103566186) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 3-(3-cyano-5-methoxyphenoxy)propanoic acid.

Molecular Properties

Compound Name3-(3-cyano-5-methoxyphenoxy)propanoic acid
PubChem CID103566186
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name3-(3-cyano-5-methoxyphenoxy)propanoic acid
SMILESCOc1cc(C#N)cc(OCCC(=O)O)c1
InChIInChI=1S/C11H11NO4/c1-15-9-4-8(7-12)5-10(6-9)16-3-2-11(13)14/h4-6H,2-3H2,1H3,(H,13,14)
InChIKeyYLEVOJDOYBYJKB-UHFFFAOYSA-N
XLogP1.42
TPSA79.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-cyano-5-methoxyphenoxy)-N,N-dimethylpropanamide
CID 103567047
ethyl 3-(3-cyano-5-methoxyphenoxy)propanoate
CID 103566190
3-methoxy-5-(3-methylbut-3-enoxy)benzonitrile
CID 103566906
4-(3,5-dimethoxyphenoxy)butanoic acid
CID 43351586
3-(2-cyanoethoxy)-5-methoxybenzonitrile
CID 103566780
3-(6-hydroxyhexoxy)-5-methoxybenzonitrile
CID 103577964
2-(3-cyano-5-methoxyphenoxy)ethanesulfonamide
CID 103568365
3-methoxy-5-[3-(methylamino)propoxy]benzonitrile
CID 103568078
3-methoxy-5-pent-4-ynoxybenzonitrile
CID 103567166
3-(2-cyclohexyl-2-oxoethoxy)-5-methoxybenzonitrile
CID 103567984
3-[(E)-but-2-enoxy]-5-methoxybenzonitrile
CID 103567035
3-methoxy-5-prop-2-enoxybenzonitrile
CID 103566833

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyano-5-methoxyphenoxy)propanoic acid?
The IUPAC name of 3-(3-cyano-5-methoxyphenoxy)propanoic acid (CID 103566186) is 3-(3-cyano-5-methoxyphenoxy)propanoic acid.
What is the SMILES notation for 3-(3-cyano-5-methoxyphenoxy)propanoic acid?
The canonical SMILES for 3-(3-cyano-5-methoxyphenoxy)propanoic acid is COc1cc(C#N)cc(OCCC(=O)O)c1.
What is the InChIKey of 3-(3-cyano-5-methoxyphenoxy)propanoic acid?
The InChIKey is YLEVOJDOYBYJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c1-15-9-4-8(7-12)5-10(6-9)16-3-2-11(13)14/h4-6H,2-3H2,1H3,(H,13,14).
What are the key properties of 3-(3-cyano-5-methoxyphenoxy)propanoic acid?
3-(3-cyano-5-methoxyphenoxy)propanoic acid has a molecular weight of 221.21 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyano-5-methoxyphenoxy)propanoic acid is sourced from PubChem (CID 103566186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).