EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	6TM3R4X5CX
EPA CompTox	DTXSID90185431

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

6TM3R4X5CX

EPA CompTox

DTXSID90185431


InChI Key	OPXNFHAILOHHFO-UHFFFAOYSA-N
Smiles	CCOC(=O)CCCCl
InChI	InChI=1S/C6H11ClO2/c1-2-9-6(8)4-3-5-7/h2-5H2,1H3

InChI Key

OPXNFHAILOHHFO-UHFFFAOYSA-N

Smiles

CCOC(=O)CCCCl

InChI

InChI=1S/C6H11ClO2/c1-2-9-6(8)4-3-5-7/h2-5H2,1H3

Property Name	Value
Molecular Formula	C6H11Cl1O2
Molecular Weight	150.04
AlogP	1.57
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	26.3
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C6H11Cl1O2

Molecular Weight

150.04

AlogP

1.57

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

4.0

Polar Surface Area

26.3

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	3153-36-4
NORMAN SUSDAT
FDA SRS	6TM3R4X5CX
PubChem	18474
ChemSpider	17448.0

Resources

Reference

CAS NUMBER

3153-36-4

NORMAN SUSDAT

FDA SRS

6TM3R4X5CX

PubChem

18474

ChemSpider

17448.0

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

ETHYL 4-CHLOROBUTYRATE

Structure

Physicochemical Descriptors

Cross References