EcoDrugPlus


Keyword(s):	Drinking Water Chemicals ; Food Contact Chemicals
Molecule Category	Free-form
UNII	71TY9W41AJ
EPA CompTox	DTXSID40868808

Keyword(s):

Drinking Water Chemicals ; Food Contact Chemicals

Molecule Category

Free-form

UNII

71TY9W41AJ

EPA CompTox

DTXSID40868808


InChI Key	ZMDDERVSCYEKPQ-UHFFFAOYSA-N
Smiles	O=C(C=1C(=CC(=CC1C)C)C)P(=O)(OCC)C=2C=CC=CC2
InChI	InChI=1/C18H21O3P/c1-5-21-22(20,16-9-7-6-8-10-16)18(19)17-14(3)11-13(2)12-15(17)4/h6-12H,5H2,1-4H3

InChI Key

ZMDDERVSCYEKPQ-UHFFFAOYSA-N

Smiles

O=C(C=1C(=CC(=CC1C)C)C)P(=O)(OCC)C=2C=CC=CC2

InChI

InChI=1/C18H21O3P/c1-5-21-22(20,16-9-7-6-8-10-16)18(19)17-14(3)11-13(2)12-15(17)4/h6-12H,5H2,1-4H3

Property Name	Value
Molecular Formula	C18H21O3P
Molecular Weight	316.12
AlogP	4.39
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	5.0
Polar Surface Area	43.37
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C18H21O3P

Molecular Weight

316.12

AlogP

4.39

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

5.0

Polar Surface Area

43.37

Heavy Atoms

22.0

Resources	Reference
CAS NUMBER	84434-11-7
NORMAN SUSDAT
FDA SRS	71TY9W41AJ
PubChem	16205480

Resources

Reference

CAS NUMBER

84434-11-7

NORMAN SUSDAT

FDA SRS

71TY9W41AJ

PubChem

16205480

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

ETHYL PHENYL(2,4,6-TRIMETHYLBENZOYL)PHOSPHINATE

Structure

Physicochemical Descriptors

Cross References