EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	5GE9C44A24
EPA CompTox	DTXSID40240468

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

5GE9C44A24

EPA CompTox

DTXSID40240468


InChI Key	XEIFSOMSFBBKNY-UHFFFAOYSA-N
Smiles	C=CC(=O)OCCCc1ccco1
InChI	InChI=1S/C10H12O3/c1-2-10(11)13-8-4-6-9-5-3-7-12-9/h2-3,5,7H,1,4,6,8H2

InChI Key

XEIFSOMSFBBKNY-UHFFFAOYSA-N

Smiles

C=CC(=O)OCCCc1ccco1

InChI

InChI=1S/C10H12O3/c1-2-10(11)13-8-4-6-9-5-3-7-12-9/h2-3,5,7H,1,4,6,8H2

Property Name	Value
Molecular Formula	C10H12O3
Molecular Weight	180.08
AlogP	1.94
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	5.0
Polar Surface Area	39.44
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C10H12O3

Molecular Weight

180.08

AlogP

1.94

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

5.0

Polar Surface Area

39.44

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	94088-36-5
NORMAN SUSDAT
FDA SRS	5GE9C44A24
PubChem	3023480
ChemSpider	2289677.0

Resources

Reference

CAS NUMBER

94088-36-5

NORMAN SUSDAT

FDA SRS

5GE9C44A24

PubChem

3023480

ChemSpider

2289677.0

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

3-(2-FURYL)PROPYL ACRYLATE

Structure

Physicochemical Descriptors

Cross References