EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID10241402

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID10241402


InChI Key	SUBSHCJSKRMLPQ-UHFFFAOYSA-N
Smiles	COCCOC(CCl)OCCOC
InChI	InChI=1S/C8H17ClO4/c1-10-3-5-12-8(7-9)13-6-4-11-2/h8H,3-7H2,1-2H3

InChI Key

SUBSHCJSKRMLPQ-UHFFFAOYSA-N

Smiles

COCCOC(CCl)OCCOC

InChI

InChI=1S/C8H17ClO4/c1-10-3-5-12-8(7-9)13-6-4-11-2/h8H,3-7H2,1-2H3

Property Name	Value
Molecular Formula	C8H17Cl1O4
Molecular Weight	212.08
AlogP	0.88
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	9.0
Polar Surface Area	36.92
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C8H17Cl1O4

Molecular Weight

212.08

AlogP

0.88

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

9.0

Polar Surface Area

36.92

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	94291-95-9
NORMAN SUSDAT
PubChem	3024294
ChemSpider	2290257.0

Resources

Reference

CAS NUMBER

94291-95-9

NORMAN SUSDAT

PubChem

3024294

ChemSpider

2290257.0

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, 2025, gkaf1251 Read...

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

Last update: Monday, 3 November 2025

2-CHLORO-1,1-BIS(2-METHOXYETHOXY)ETHANE

Structure

Physicochemical Descriptors

Cross References