EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	WG8J3ZU346
EPA CompTox	DTXSID90177639

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

WG8J3ZU346

EPA CompTox

DTXSID90177639


InChI Key	ILNCZQXPGNSQRN-UHFFFAOYSA-N
Smiles	Cc1cc(Cl)ccc1OCCC(=O)O
InChI	InChI=1S/C10H11ClO3/c1-7-6-8(11)2-3-9(7)14-5-4-10(12)13/h2-3,6H,4-5H2,1H3,(H,12,13)

InChI Key

ILNCZQXPGNSQRN-UHFFFAOYSA-N

Smiles

Cc1cc(Cl)ccc1OCCC(=O)O

InChI

InChI=1S/C10H11ClO3/c1-7-6-8(11)2-3-9(7)14-5-4-10(12)13/h2-3,6H,4-5H2,1H3,(H,12,13)

Property Name	Value
Molecular Formula	C10H11Cl1O3
Molecular Weight	214.04
AlogP	2.5
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	46.53
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C10H11Cl1O3

Molecular Weight

214.04

AlogP

2.5

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

4.0

Polar Surface Area

46.53

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	2307-66-6
NORMAN SUSDAT
FDA SRS	WG8J3ZU346
PubChem	61905
ChemSpider	55766.0

Resources

Reference

CAS NUMBER

2307-66-6

NORMAN SUSDAT

FDA SRS

WG8J3ZU346

PubChem

61905

ChemSpider

55766.0

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

3-(4-CHLORO-2-METHYLPHENOXY)PROPIONIC ACID

Structure

Physicochemical Descriptors

Cross References