EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	R9P25V3LDS
EPA CompTox	DTXSID20188298

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

R9P25V3LDS

EPA CompTox

DTXSID20188298


InChI Key	GQGPDDREGSRIRX-UHFFFAOYSA-N
Smiles	ClC(=O)OCCOc1ccccc1
InChI	InChI=1S/C9H9ClO3/c10-9(11)13-7-6-12-8-4-2-1-3-5-8/h1-5H,6-7H2

InChI Key

GQGPDDREGSRIRX-UHFFFAOYSA-N

Smiles

ClC(=O)OCCOc1ccccc1

InChI

InChI=1S/C9H9ClO3/c10-9(11)13-7-6-12-8-4-2-1-3-5-8/h1-5H,6-7H2

Property Name	Value
Molecular Formula	C9H9Cl1O3
Molecular Weight	200.02
AlogP	2.44
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	4.0
Polar Surface Area	35.53
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C9H9Cl1O3

Molecular Weight

200.02

AlogP

2.44

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

4.0

Polar Surface Area

35.53

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	34743-87-8
NORMAN SUSDAT
FDA SRS	R9P25V3LDS
PubChem	3015708
ChemSpider	78888.0

Resources

Reference

CAS NUMBER

34743-87-8

NORMAN SUSDAT

FDA SRS

R9P25V3LDS

PubChem

3015708

ChemSpider

78888.0

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

2-PHENOXYETHYL CHLOROFORMATE

Structure

Physicochemical Descriptors

Cross References