3-phenoxybenzoic acid

C13H10O3 — CID 19539

IUPAC3-phenoxybenzoic acid
SMILESO=C(O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C13H10O3/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9H,(H,14,15)
InChIKeyNXTDJHZGHOFSQG-UHFFFAOYSA-N
MW214.22 g/mol
LogP3.18
Rot. Bonds3

About 3-phenoxybenzoic acid

3-phenoxybenzoic acid (PubChem CID 19539) has the molecular formula C13H10O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 3-phenoxybenzoic acid.

Molecular Properties

Compound Name3-phenoxybenzoic acid
PubChem CID19539
Molecular FormulaC13H10O3
Molecular Weight214.22 g/mol
Exact Mass214.06
IUPAC Name3-phenoxybenzoic acid
SMILESO=C(O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C13H10O3/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9H,(H,14,15)
InChIKeyNXTDJHZGHOFSQG-UHFFFAOYSA-N
XLogP3.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-phenoxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-phenoxybenzoic acid?
The IUPAC name of 3-phenoxybenzoic acid (CID 19539) is 3-phenoxybenzoic acid.
What is the SMILES notation for 3-phenoxybenzoic acid?
The canonical SMILES for 3-phenoxybenzoic acid is O=C(O)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 3-phenoxybenzoic acid?
The InChIKey is NXTDJHZGHOFSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O3/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9H,(H,14,15).
What are the key properties of 3-phenoxybenzoic acid?
3-phenoxybenzoic acid has a molecular weight of 214.22 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxybenzoic acid is sourced from PubChem (CID 19539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).