EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Free-form
EPA CompTox	DTXSID80905009

Keyword(s):

Food Contact Chemicals

Molecule Category

Free-form

EPA CompTox

DTXSID80905009


InChI Key	FIOCEWASVZHBTK-UHFFFAOYSA-N
Smiles	O=C(OCCOCCOC(=O)C(=O)C1=CC=CC=C1)C(=O)C1=CC=CC=C1
InChI	InChI=1S/C20H18O7/c21-17(15-7-3-1-4-8-15)19(23)26-13-11-25-12-14-27-20(24)18(22)16-9-5-2-6-10-16/h1-10H,11-14H2

InChI Key

FIOCEWASVZHBTK-UHFFFAOYSA-N

Smiles

O=C(OCCOCCOC(=O)C(=O)C1=CC=CC=C1)C(=O)C1=CC=CC=C1

InChI

InChI=1S/C20H18O7/c21-17(15-7-3-1-4-8-15)19(23)26-13-11-25-12-14-27-20(24)18(22)16-9-5-2-6-10-16/h1-10H,11-14H2

Property Name	Value
Molecular Formula	C20H18O7
Molecular Weight	370.11
AlogP	1.86
Hydrogen Bond Acceptor	7.0
Number of Rotational Bond	10.0
Polar Surface Area	95.97
Heavy Atoms	27.0

Property Name

Value

Molecular Formula

C20H18O7

Molecular Weight

370.11

AlogP

1.86

Hydrogen Bond Acceptor

7.0

Number of Rotational Bond

10.0

Polar Surface Area

95.97

Heavy Atoms

27.0

Resources	Reference
CAS NUMBER	211510-16-6
NORMAN SUSDAT
PubChem	60004985

Resources

Reference

CAS NUMBER

211510-16-6

NORMAN SUSDAT

PubChem

60004985

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

OXY-PHENYLACETIC ACID 2-[2-OXO-2-PHENYL-ACETOXY-ETHOXY]-ETHYL

Structure

Physicochemical Descriptors

Cross References