3-(4-cyanophenoxy)benzoic acid

C14H9NO3 — CID 785217

IUPAC3-(4-cyanophenoxy)benzoic acid
SMILESN#Cc1ccc(Oc2cccc(C(=O)O)c2)cc1
InChIInChI=1S/C14H9NO3/c15-9-10-4-6-12(7-5-10)18-13-3-1-2-11(8-13)14(16)17/h1-8H,(H,16,17)
InChIKeyAZKSUIJUHZJOKF-UHFFFAOYSA-N
MW239.23 g/mol
LogP3.05
Rot. Bonds3

About 3-(4-cyanophenoxy)benzoic acid

3-(4-cyanophenoxy)benzoic acid (PubChem CID 785217) has the molecular formula C14H9NO3 and a molecular weight of 239.23 g/mol. Its IUPAC name is 3-(4-cyanophenoxy)benzoic acid.

Molecular Properties

Compound Name3-(4-cyanophenoxy)benzoic acid
PubChem CID785217
Molecular FormulaC14H9NO3
Molecular Weight239.23 g/mol
Exact Mass239.06
IUPAC Name3-(4-cyanophenoxy)benzoic acid
SMILESN#Cc1ccc(Oc2cccc(C(=O)O)c2)cc1
InChIInChI=1S/C14H9NO3/c15-9-10-4-6-12(7-5-10)18-13-3-1-2-11(8-13)14(16)17/h1-8H,(H,16,17)
InChIKeyAZKSUIJUHZJOKF-UHFFFAOYSA-N
XLogP3.05
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenoxy)benzoic acid?
The IUPAC name of 3-(4-cyanophenoxy)benzoic acid (CID 785217) is 3-(4-cyanophenoxy)benzoic acid.
What is the SMILES notation for 3-(4-cyanophenoxy)benzoic acid?
The canonical SMILES for 3-(4-cyanophenoxy)benzoic acid is N#Cc1ccc(Oc2cccc(C(=O)O)c2)cc1.
What is the InChIKey of 3-(4-cyanophenoxy)benzoic acid?
The InChIKey is AZKSUIJUHZJOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO3/c15-9-10-4-6-12(7-5-10)18-13-3-1-2-11(8-13)14(16)17/h1-8H,(H,16,17).
What are the key properties of 3-(4-cyanophenoxy)benzoic acid?
3-(4-cyanophenoxy)benzoic acid has a molecular weight of 239.23 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenoxy)benzoic acid is sourced from PubChem (CID 785217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).