EcoDrugPlus


Keyword(s):	Plastic additives ; Food Contact Chemicals ; Indoor Environment Substances
Molecule Category	Free-form
UNII	4P1854YU14
EPA CompTox	DTXSID3024861

Keyword(s):

Plastic additives ; Food Contact Chemicals ; Indoor Environment Substances

Molecule Category

Free-form

UNII

4P1854YU14

EPA CompTox

DTXSID3024861


InChI Key	XMNDMAQKWSQVOV-UHFFFAOYSA-N
Smiles	Cc1ccc(OP(=O)(Oc2ccccc2)Oc2ccccc2)cc1
InChI	InChI=1S/C19H17O4P/c1-16-12-14-19(15-13-16)23-24(20,21-17-8-4-2-5-9-17)22-18-10-6-3-7-11-18/h2-15H,1H3

InChI Key

XMNDMAQKWSQVOV-UHFFFAOYSA-N

Smiles

Cc1ccc(OP(=O)(Oc2ccccc2)Oc2ccccc2)cc1

InChI

InChI=1S/C19H17O4P/c1-16-12-14-19(15-13-16)23-24(20,21-17-8-4-2-5-9-17)22-18-10-6-3-7-11-18/h2-15H,1H3

Property Name	Value
Molecular Formula	C19H17O4P1
Molecular Weight	340.09
AlogP	5.64
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	6.0
Polar Surface Area	44.76
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C19H17O4P1

Molecular Weight

340.09

AlogP

5.64

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

6.0

Polar Surface Area

44.76

Heavy Atoms

24.0

Resources	Reference
CAS NUMBER	26444-49-5
NORMAN SUSDAT
FDA SRS	4P1854YU14
PubChem	520263
ChemSpider	136815.0

Resources

Reference

CAS NUMBER

26444-49-5

NORMAN SUSDAT

FDA SRS

4P1854YU14

PubChem

520263

ChemSpider

136815.0

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

CRESYL DIPHENYL PHOSPHATE

Structure

Physicochemical Descriptors

Cross References