EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID70435562

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID70435562


InChI Key	GQQLWKZRORYGHY-UHFFFAOYSA-N
Smiles	CCOC(=O)C1CCCO1
InChI	InChI=1S/C7H12O3/c1-2-9-7(8)6-4-3-5-10-6/h6H,2-5H2,1H3

InChI Key

GQQLWKZRORYGHY-UHFFFAOYSA-N

Smiles

CCOC(=O)C1CCCO1

InChI

InChI=1S/C7H12O3/c1-2-9-7(8)6-4-3-5-10-6/h6H,2-5H2,1H3

Property Name	Value
Molecular Formula	C7H12O3
Molecular Weight	144.08
AlogP	0.73
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	2.0
Polar Surface Area	35.53
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C7H12O3

Molecular Weight

144.08

AlogP

0.73

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

2.0

Polar Surface Area

35.53

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	16874-34-3
NORMAN SUSDAT
PubChem	10103286
ChemSpider	8278814.0

Resources

Reference

CAS NUMBER

16874-34-3

NORMAN SUSDAT

PubChem

10103286

ChemSpider

8278814.0

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 TETRAHYDRO-2-FUROATE

Structure

Physicochemical Descriptors

Cross References