3-(3,4-dicyanophenoxy)benzoic acid

C15H8N2O3 — CID 882352

IUPAC3-(3,4-dicyanophenoxy)benzoic acid
SMILESN#Cc1ccc(Oc2cccc(C(=O)O)c2)cc1C#N
InChIInChI=1S/C15H8N2O3/c16-8-11-4-5-14(7-12(11)9-17)20-13-3-1-2-10(6-13)15(18)19/h1-7H,(H,18,19)
InChIKeyFLZUFWXMMZUPKP-UHFFFAOYSA-N
MW264.24 g/mol
LogP2.92
Rot. Bonds3

About 3-(3,4-dicyanophenoxy)benzoic acid

3-(3,4-dicyanophenoxy)benzoic acid (PubChem CID 882352) has the molecular formula C15H8N2O3 and a molecular weight of 264.24 g/mol. Its IUPAC name is 3-(3,4-dicyanophenoxy)benzoic acid.

Molecular Properties

Compound Name3-(3,4-dicyanophenoxy)benzoic acid
PubChem CID882352
Molecular FormulaC15H8N2O3
Molecular Weight264.24 g/mol
Exact Mass264.05
IUPAC Name3-(3,4-dicyanophenoxy)benzoic acid
SMILESN#Cc1ccc(Oc2cccc(C(=O)O)c2)cc1C#N
InChIInChI=1S/C15H8N2O3/c16-8-11-4-5-14(7-12(11)9-17)20-13-3-1-2-10(6-13)15(18)19/h1-7H,(H,18,19)
InChIKeyFLZUFWXMMZUPKP-UHFFFAOYSA-N
XLogP2.92
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dicyanophenoxy)benzoic acid?
The IUPAC name of 3-(3,4-dicyanophenoxy)benzoic acid (CID 882352) is 3-(3,4-dicyanophenoxy)benzoic acid.
What is the SMILES notation for 3-(3,4-dicyanophenoxy)benzoic acid?
The canonical SMILES for 3-(3,4-dicyanophenoxy)benzoic acid is N#Cc1ccc(Oc2cccc(C(=O)O)c2)cc1C#N.
What is the InChIKey of 3-(3,4-dicyanophenoxy)benzoic acid?
The InChIKey is FLZUFWXMMZUPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8N2O3/c16-8-11-4-5-14(7-12(11)9-17)20-13-3-1-2-10(6-13)15(18)19/h1-7H,(H,18,19).
What are the key properties of 3-(3,4-dicyanophenoxy)benzoic acid?
3-(3,4-dicyanophenoxy)benzoic acid has a molecular weight of 264.24 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dicyanophenoxy)benzoic acid is sourced from PubChem (CID 882352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).