EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Free-form

Keyword(s):

Food Contact Chemicals

Molecule Category

Free-form


InChI Key	QFNYOIKHNYCFRG-UHFFFAOYSA-N
Smiles	C=CC(=O)OCCOCCOC1=CC=CC=C1
InChI	InChI=1S/C13H16O4/c1-2-13(14)17-11-9-15-8-10-16-12-6-4-3-5-7-12/h2-7H,1,8-11H2

InChI Key

QFNYOIKHNYCFRG-UHFFFAOYSA-N

Smiles

C=CC(=O)OCCOCCOC1=CC=CC=C1

InChI

InChI=1S/C13H16O4/c1-2-13(14)17-11-9-15-8-10-16-12-6-4-3-5-7-12/h2-7H,1,8-11H2

Property Name	Value
Molecular Formula	C13H16O4
Molecular Weight	236.1
AlogP	1.81
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	8.0
Polar Surface Area	44.76
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C13H16O4

Molecular Weight

236.1

AlogP

1.81

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

8.0

Polar Surface Area

44.76

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	61630-25-9
NORMAN SUSDAT
PubChem	4418430

Resources

Reference

CAS NUMBER

61630-25-9

NORMAN SUSDAT

PubChem

4418430

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

PHENOXY-DIYETHYLENEGLYCOL ACRYLATE

Structure

Physicochemical Descriptors

Cross References