EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	YZ819M118B
EPA CompTox	DTXSID10196221

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

YZ819M118B

EPA CompTox

DTXSID10196221


InChI Key	OEPKDBQOTLDTNC-UHFFFAOYSA-N
Smiles	COCP(=O)(c1ccccc1)c1ccccc1
InChI	InChI=1S/C14H15O2P/c1-16-12-17(15,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,12H2,1H3

InChI Key

OEPKDBQOTLDTNC-UHFFFAOYSA-N

Smiles

COCP(=O)(c1ccccc1)c1ccccc1

InChI

InChI=1S/C14H15O2P/c1-16-12-17(15,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,12H2,1H3

Property Name	Value
Molecular Formula	C14H15O2P1
Molecular Weight	246.08
AlogP	2.6
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	26.3
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C14H15O2P1

Molecular Weight

246.08

AlogP

2.6

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

4.0

Polar Surface Area

26.3

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	4455-77-0
NORMAN SUSDAT
FDA SRS	YZ819M118B
PubChem	78203
ChemSpider	70579.0

Resources

Reference

CAS NUMBER

4455-77-0

NORMAN SUSDAT

FDA SRS

YZ819M118B

PubChem

78203

ChemSpider

70579.0

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...

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Last update: Monday, 3 November 2025

PHOSPHINE OXIDE, DIPHENYL(METHOXYMETHYL)-

Structure

Physicochemical Descriptors

Cross References