EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	XSK4SNM3ZG
EPA CompTox	DTXSID00177408

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

XSK4SNM3ZG

EPA CompTox

DTXSID00177408


InChI Key	ISMZWFQULKRSSN-UHFFFAOYSA-N
Smiles	COc1c(OCCOCCCl)cccc1
InChI	InChI=1S/C11H15ClO3/c1-13-10-4-2-3-5-11(10)15-9-8-14-7-6-12/h2-5H,6-9H2,1H3

InChI Key

ISMZWFQULKRSSN-UHFFFAOYSA-N

Smiles

COc1c(OCCOCCCl)cccc1

InChI

InChI=1S/C11H15ClO3/c1-13-10-4-2-3-5-11(10)15-9-8-14-7-6-12/h2-5H,6-9H2,1H3

Property Name	Value
Molecular Formula	C11H15Cl1O3
Molecular Weight	230.07
AlogP	2.33
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	7.0
Polar Surface Area	27.69
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C11H15Cl1O3

Molecular Weight

230.07

AlogP

2.33

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

7.0

Polar Surface Area

27.69

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	2287-32-3
NORMAN SUSDAT
FDA SRS	XSK4SNM3ZG
PubChem	75296
ChemSpider	67838.0

Resources

Reference

CAS NUMBER

2287-32-3

NORMAN SUSDAT

FDA SRS

XSK4SNM3ZG

PubChem

75296

ChemSpider

67838.0

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...

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Last update: Monday, 3 November 2025

1-(2-(2-CHLOROETHOXY)ETHOXY)-2-METHOXYBENZENE

Structure

Physicochemical Descriptors

Cross References