2-(4-cyano-2-cyclopropylphenoxy)acetic acid

C12H11NO3 — CID 118394569

IUPAC2-(4-cyano-2-cyclopropylphenoxy)acetic acid
SMILESN#Cc1ccc(OCC(=O)O)c(C2CC2)c1
InChIInChI=1S/C12H11NO3/c13-6-8-1-4-11(16-7-12(14)15)10(5-8)9-2-3-9/h1,4-5,9H,2-3,7H2,(H,14,15)
InChIKeyOAGHBWKGLHFRBF-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.90
Rot. Bonds4

About 2-(4-cyano-2-cyclopropylphenoxy)acetic acid

2-(4-cyano-2-cyclopropylphenoxy)acetic acid (PubChem CID 118394569) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 2-(4-cyano-2-cyclopropylphenoxy)acetic acid.

Molecular Properties

Compound Name2-(4-cyano-2-cyclopropylphenoxy)acetic acid
PubChem CID118394569
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name2-(4-cyano-2-cyclopropylphenoxy)acetic acid
SMILESN#Cc1ccc(OCC(=O)O)c(C2CC2)c1
InChIInChI=1S/C12H11NO3/c13-6-8-1-4-11(16-7-12(14)15)10(5-8)9-2-3-9/h1,4-5,9H,2-3,7H2,(H,14,15)
InChIKeyOAGHBWKGLHFRBF-UHFFFAOYSA-N
XLogP1.90
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(4-cyano-2-cyclopropylphenoxy)ethyl]carbamate
CID 170995630
2-(4-cyano-2-propan-2-ylphenoxy)acetic acid
CID 126600902
2-(4-bromo-2-cyclohexylphenoxy)acetic acid
CID 160908207
4-(2-cyclopropyl-2-oxoethoxy)-3-methoxybenzonitrile
CID 63903452
4-(2-cyclohexyl-2-oxoethoxy)-3-fluorobenzonitrile
CID 103793502
2-[2-(oxan-4-yl)phenoxy]acetic acid
CID 22246374
2-[2-(5-cyano-2-methoxyphenyl)-4-(trifluoromethyl)phenoxy]acetic acid
CID 11210307
2-[4-cyano-2-(5-fluoro-2-phenylmethoxycarbonyloxy-3,4-dihydro-1H-isoquinolin-1-yl)phenoxy]acetic acid
CID 118387524
4-(2-cyclopropyl-2-oxoethoxy)-3-nitrobenzonitrile
CID 63904982
2-[4-cyano-2-(trifluoromethyl)phenoxy]-N-cyclopropylacetamide
CID 115467773
5-cyano-2-cyclobutylbenzoic acid
CID 118469335
2-(4-cyano-2-methoxyphenoxy)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide
CID 134053335

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-cyclopropylphenoxy)acetic acid?
The IUPAC name of 2-(4-cyano-2-cyclopropylphenoxy)acetic acid (CID 118394569) is 2-(4-cyano-2-cyclopropylphenoxy)acetic acid.
What is the SMILES notation for 2-(4-cyano-2-cyclopropylphenoxy)acetic acid?
The canonical SMILES for 2-(4-cyano-2-cyclopropylphenoxy)acetic acid is N#Cc1ccc(OCC(=O)O)c(C2CC2)c1.
What is the InChIKey of 2-(4-cyano-2-cyclopropylphenoxy)acetic acid?
The InChIKey is OAGHBWKGLHFRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c13-6-8-1-4-11(16-7-12(14)15)10(5-8)9-2-3-9/h1,4-5,9H,2-3,7H2,(H,14,15).
What are the key properties of 2-(4-cyano-2-cyclopropylphenoxy)acetic acid?
2-(4-cyano-2-cyclopropylphenoxy)acetic acid has a molecular weight of 217.22 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2-cyclopropylphenoxy)acetic acid is sourced from PubChem (CID 118394569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).