2-Phenoxybenzoic acid

CAS 2243-42-7  ·  C13H10O3  ·  MW 214.22 g/mol

Full record: 2-Phenoxybenzoic acid — Safety Data Sheet →

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3D model 2-Phenoxybenzoic acid, CAS 2243-42-7, molecular formula C13H10O3, molar mass 214.22 g/mol

Model views

  • 2-Phenoxybenzoic acid (CAS 2243-42-7) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • 2-Phenoxybenzoic acid (CAS 2243-42-7) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • 2-Phenoxybenzoic acid (CAS 2243-42-7) – 2D structure, MolGod Viewer
    2D structure

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About 2-Phenoxybenzoic acid

2-Phenoxybenzoic acid is a chemical compound registered under number CAS 2243-42-7, with the molecular formula C13H10O3, and a molar mass of 214.22 g/mol.

The molecule contains 26 atoms connected by 27 chemical bonds. The full systematic IUPAC name of this compound is 2-phenoxybenzoic acid. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 3.1 (positive value, a lipophilic compound), polar surface area PSA = 46.5 Ų, 1 donors and 3 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties
Molecular formulaC13H10O3
Molar mass214.22 g/mol
IUPAC2-phenoxybenzoic acid
SMILESC1=CC=C(C=C1)OC2=CC=CC=C2C(=O)O
InChIKeyPKRSYEPBQPFNRB-UHFFFAOYSA-N
logP (XLogP3)3.1
PSA46.5 Ų
HBD / HBA1 / 3
PubChem CIDCID 75237 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H315 — Causes skin irritation

H319 — Causes serious eye irritation

H335 — May cause respiratory irritation

Scientific literature

Related literature

2 articles · 2 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filters:Export:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 Publication timeline (number of articles: 2)

2006: number of articles 120062011: number of articles 12011

Bar height = number of articles in a given year. Hover over a bar to see details.

Data from PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary generated by Semantic Scholar TLDR. Articles marked with require paid access.

Synonyms
2-Phenoxybenzoic acid · 2243-42-7 · o-Phenoxybenzoic acid · Benzoic acid, 2-phenoxy- · Benzoic acid, o-phenoxy- · ortho-Phenoxybenzoic acid · 2-Carboxydiphenyl ether · o-phenoxybenzoic aci · o-carboxydiphenyl ether · 2-carboxybiphenyl ether · 2-PhOC6H4COOH · 902C93KXK0 · 2-PhOC6H4CO2H · EINECS 218-811-5 · NSC 39656
Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
2-Phenoxybenzoic acid · 2243-42-7
InChIKey
PKRSYEPBQPFNRB-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — 2-Phenoxybenzoic acid (CAS 2243-42-7)
License & provenance record
2-Phenoxybenzoic acid (CAS 2243-42-7) →
MolGod molecule record
2-Phenoxybenzoic acid →
Source data
PubChem CID 75237 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
7ce389fb40052b32467fb345be56b09893b174786f8d067d8f23f8286adb2266
MD5 (STL)
79de4ed1499fc7103695d69b519b3cba
MolGod Identification Number
MG_184-169-143-13
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
not published yet
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