EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID60345287

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID60345287


InChI Key	GBXNVYBGIFEOEM-UHFFFAOYSA-N
Smiles	COc1ccccc1P(c1ccccc1)c1ccccc1
InChI	InChI=1S/C19H17OP/c1-20-18-14-8-9-15-19(18)21(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-15H,1H3

InChI Key

GBXNVYBGIFEOEM-UHFFFAOYSA-N

Smiles

COc1ccccc1P(c1ccccc1)c1ccccc1

InChI

InChI=1S/C19H17OP/c1-20-18-14-8-9-15-19(18)21(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-15H,1H3

Property Name	Value
Molecular Formula	C19H17O1P1
Molecular Weight	292.1
AlogP	3.45
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	9.23
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C19H17O1P1

Molecular Weight

292.1

AlogP

3.45

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

4.0

Polar Surface Area

9.23

Heavy Atoms

21.0

Resources	Reference
CAS NUMBER	53111-20-9
NORMAN SUSDAT
PubChem	603401
ChemSpider	524530.0

Resources

Reference

CAS NUMBER

53111-20-9

NORMAN SUSDAT

PubChem

603401

ChemSpider

524530.0

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(2-METHOXYPHENYL)PHOSPHINE

Structure

Physicochemical Descriptors

Cross References