EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	H2TNX7B88U
EPA CompTox	DTXSID30209584

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

H2TNX7B88U

EPA CompTox

DTXSID30209584


InChI Key	YDICVVYPXSZSFA-UHFFFAOYSA-N
Smiles	CC(C)OP(=O)(Oc1ccccc1)Oc1ccccc1
InChI	InChI=1S/C15H17O4P/c1-13(2)17-20(16,18-14-9-5-3-6-10-14)19-15-11-7-4-8-12-15/h3-13H,1-2H3

InChI Key

YDICVVYPXSZSFA-UHFFFAOYSA-N

Smiles

CC(C)OP(=O)(Oc1ccccc1)Oc1ccccc1

InChI

InChI=1S/C15H17O4P/c1-13(2)17-20(16,18-14-9-5-3-6-10-14)19-15-11-7-4-8-12-15/h3-13H,1-2H3

Property Name	Value
Molecular Formula	C15H17O4P1
Molecular Weight	292.09
AlogP	4.68
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	6.0
Polar Surface Area	44.76
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C15H17O4P1

Molecular Weight

292.09

AlogP

4.68

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

6.0

Polar Surface Area

44.76

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	60763-39-5
NORMAN SUSDAT
FDA SRS	H2TNX7B88U
PubChem	43467
ChemSpider	39618.0

Resources

Reference

CAS NUMBER

60763-39-5

NORMAN SUSDAT

FDA SRS

H2TNX7B88U

PubChem

43467

ChemSpider

39618.0

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

ISOPROPYL DIPHENYL PHOSPHATE

Structure

Physicochemical Descriptors

Cross References