EcoDrugPlus


Keyword(s):	Drinking Water Chemicals
Molecule Category	Free-form
EPA CompTox	DTXSID50865742

Keyword(s):

Drinking Water Chemicals

Molecule Category

Free-form

EPA CompTox

DTXSID50865742


InChI Key	ZWZUFQPXYVYAFO-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)C=P(c1ccccc1)(c2ccccc2)c3ccccc3
InChI	InChI=1S/C24H25O2P/c1-24(2,3)26-23(25)19-27(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-19H,1-3H3

InChI Key

ZWZUFQPXYVYAFO-UHFFFAOYSA-N

Smiles

CC(C)(C)OC(=O)C=P(c1ccccc1)(c2ccccc2)c3ccccc3

InChI

InChI=1S/C24H25O2P/c1-24(2,3)26-23(25)19-27(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-19H,1-3H3

Property Name	Value
Molecular Formula	C24H25O2P
Molecular Weight	376.16
AlogP	4.12
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	26.3
Heavy Atoms	27.0

Property Name

Value

Molecular Formula

C24H25O2P

Molecular Weight

376.16

AlogP

4.12

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

4.0

Polar Surface Area

26.3

Heavy Atoms

27.0

Resources	Reference
CAS NUMBER	35000-38-5
NORMAN SUSDAT
PubChem	256127
ChemSpider	224613.0

Resources

Reference

CAS NUMBER

35000-38-5

NORMAN SUSDAT

PubChem

256127

ChemSpider

224613.0

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

TERT-BUTYL (TRIPHENYLPHOSPHORANYLIDENE) ACETATE

Structure

Physicochemical Descriptors

Cross References