EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID0069414

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID0069414


InChI Key	OGVJEUDMQQIAPV-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCOP(Oc1ccccc1)Oc1ccccc1
InChI	InChI=1S/C25H37O3P/c1-2-3-4-5-6-7-8-9-10-11-18-23-26-29(27-24-19-14-12-15-20-24)28-25-21-16-13-17-22-25/h12-17,19-22H,2-11,18,23H2,1H3

InChI Key

OGVJEUDMQQIAPV-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCOP(Oc1ccccc1)Oc1ccccc1

InChI

InChI=1S/C25H37O3P/c1-2-3-4-5-6-7-8-9-10-11-18-23-26-29(27-24-19-14-12-15-20-24)28-25-21-16-13-17-22-25/h12-17,19-22H,2-11,18,23H2,1H3

Property Name	Value
Molecular Formula	C25H37O3P1
Molecular Weight	416.25
AlogP	8.7
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	17.0
Polar Surface Area	27.69
Heavy Atoms	29.0

Property Name

Value

Molecular Formula

C25H37O3P1

Molecular Weight

416.25

AlogP

8.7

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

17.0

Polar Surface Area

27.69

Heavy Atoms

29.0

Resources	Reference
CAS NUMBER	60628-17-3
NORMAN SUSDAT
PubChem	108980
ChemSpider	98003.0

Resources

Reference

CAS NUMBER

60628-17-3

NORMAN SUSDAT

PubChem

108980

ChemSpider

98003.0

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

DIPHENYL TRIDECYL PHOSPHITE

Structure

Physicochemical Descriptors

Cross References