3-(2-bromo-4-cyanophenoxy)propanoic acid

C10H8BrNO3 — CID 175668379

IUPAC3-(2-bromo-4-cyanophenoxy)propanoic acid
SMILESN#Cc1ccc(OCCC(=O)O)c(Br)c1
InChIInChI=1S/C10H8BrNO3/c11-8-5-7(6-12)1-2-9(8)15-4-3-10(13)14/h1-2,5H,3-4H2,(H,13,14)
InChIKeyWZKSNSAFMUOUHK-UHFFFAOYSA-N
MW270.08 g/mol
LogP2.17
Rot. Bonds4

About 3-(2-bromo-4-cyanophenoxy)propanoic acid

3-(2-bromo-4-cyanophenoxy)propanoic acid (PubChem CID 175668379) has the molecular formula C10H8BrNO3 and a molecular weight of 270.08 g/mol. Its IUPAC name is 3-(2-bromo-4-cyanophenoxy)propanoic acid.

Molecular Properties

Compound Name3-(2-bromo-4-cyanophenoxy)propanoic acid
PubChem CID175668379
Molecular FormulaC10H8BrNO3
Molecular Weight270.08 g/mol
Exact Mass268.97
IUPAC Name3-(2-bromo-4-cyanophenoxy)propanoic acid
SMILESN#Cc1ccc(OCCC(=O)O)c(Br)c1
InChIInChI=1S/C10H8BrNO3/c11-8-5-7(6-12)1-2-9(8)15-4-3-10(13)14/h1-2,5H,3-4H2,(H,13,14)
InChIKeyWZKSNSAFMUOUHK-UHFFFAOYSA-N
XLogP2.17
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.08
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminoethoxy)-3-bromobenzonitrile
CID 82800339
3-bromo-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzonitrile
CID 104561498
3-bromo-4-[2-(methylamino)ethoxy]benzonitrile
CID 82801378
3-bromo-4-octoxybenzonitrile
CID 82797429
3-(2-bromo-4-sulfamoylphenoxy)propanoic acid
CID 43164341
4-(5-cyano-2-methylphenoxy)butanoic acid
CID 107654879
tert-butyl 2-(2-bromo-4-cyanophenoxy)acetate
CID 58521856
3-bromo-4-(2-methylprop-2-enoxy)benzonitrile
CID 117383055
3-chloro-4-(3-oxo-3-phenylpropoxy)benzonitrile
CID 116692131
3-(2-bromo-5-cyanophenyl)propanoic acid
CID 130822902
2-(2-bromo-5-cyanophenyl)acetic acid
CID 91882194
3-[1-(2-bromo-4-cyanophenyl)piperidin-4-yl]oxypropanoic acid
CID 82785719

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-cyanophenoxy)propanoic acid?
The IUPAC name of 3-(2-bromo-4-cyanophenoxy)propanoic acid (CID 175668379) is 3-(2-bromo-4-cyanophenoxy)propanoic acid.
What is the SMILES notation for 3-(2-bromo-4-cyanophenoxy)propanoic acid?
The canonical SMILES for 3-(2-bromo-4-cyanophenoxy)propanoic acid is N#Cc1ccc(OCCC(=O)O)c(Br)c1.
What is the InChIKey of 3-(2-bromo-4-cyanophenoxy)propanoic acid?
The InChIKey is WZKSNSAFMUOUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO3/c11-8-5-7(6-12)1-2-9(8)15-4-3-10(13)14/h1-2,5H,3-4H2,(H,13,14).
What are the key properties of 3-(2-bromo-4-cyanophenoxy)propanoic acid?
3-(2-bromo-4-cyanophenoxy)propanoic acid has a molecular weight of 270.08 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-cyanophenoxy)propanoic acid is sourced from PubChem (CID 175668379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).