EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	C992TAE8CX
EPA CompTox	DTXSID30233703

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

C992TAE8CX

EPA CompTox

DTXSID30233703


InChI Key	GZIBHKMXDFJXQY-UHFFFAOYSA-N
Smiles	COCCOC(=O)c1ccc(O)cc1
InChI	InChI=1S/C10H12O4/c1-13-6-7-14-10(12)8-2-4-9(11)5-3-8/h2-5,11H,6-7H2,1H3

InChI Key

GZIBHKMXDFJXQY-UHFFFAOYSA-N

Smiles

COCCOC(=O)c1ccc(O)cc1

InChI

InChI=1S/C10H12O4/c1-13-6-7-14-10(12)8-2-4-9(11)5-3-8/h2-5,11H,6-7H2,1H3

Property Name	Value
Molecular Formula	C10H12O4
Molecular Weight	196.07
AlogP	1.2
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	55.76
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C10H12O4

Molecular Weight

196.07

AlogP

1.2

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

4.0

Polar Surface Area

55.76

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	84697-08-5
NORMAN SUSDAT
FDA SRS	C992TAE8CX
PubChem	3020081
ChemSpider	2287079.0

Resources

Reference

CAS NUMBER

84697-08-5

NORMAN SUSDAT

FDA SRS

C992TAE8CX

PubChem

3020081

ChemSpider

2287079.0

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

2-METHOXYETHYL 4-HYDROXYBENZOATE

Structure

Physicochemical Descriptors

Cross References