EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	CB83WF95OB
EPA CompTox	DTXSID70169577

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

CB83WF95OB

EPA CompTox

DTXSID70169577


InChI Key	AKTGKEBIBGSCLD-UHFFFAOYSA-N
Smiles	CCP(=O)(C1=CC=CC=C1)C2=CC=CC=C2
InChI	InChI=1S/C14H15OP/c1-2-16(15,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3

InChI Key

AKTGKEBIBGSCLD-UHFFFAOYSA-N

Smiles

CCP(=O)(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C14H15OP/c1-2-16(15,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3

Property Name	Value
Molecular Formula	C14H15O1P1
Molecular Weight	230.09
AlogP	3.02
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	17.07
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C14H15O1P1

Molecular Weight

230.09

AlogP

3.02

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

3.0

Polar Surface Area

17.07

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	1733-57-9
NORMAN SUSDAT
FDA SRS	CB83WF95OB
PubChem	74423
ChemSpider	62953.0

Resources

Reference

CAS NUMBER

1733-57-9

NORMAN SUSDAT

FDA SRS

CB83WF95OB

PubChem

74423

ChemSpider

62953.0

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

ETHYLDIPHENYLPHOSPHINE OXIDE

Structure

Physicochemical Descriptors

Cross References