EcoDrugPlus


Keyword(s):	Food Contact Chemicals ; Plastic additives
Molecule Category	Free-form
EPA CompTox	DTXSID6051728

Keyword(s):

Food Contact Chemicals ; Plastic additives

Molecule Category

Free-form

EPA CompTox

DTXSID6051728


InChI Key	ZEFSGHVBJCEKAZ-UHFFFAOYSA-N
Smiles	CCOP(Oc1c(C)cc(cc1C(C)(C)C)C(C)(C)C)Oc1c(C)cc(cc1C(C)(C)C)C(C)(C)C
InChI	InChI=1S/C32H51O3P/c1-16-33-36(34-27-21(2)17-23(29(4,5)6)19-25(27)31(10,11)12)35-28-22(3)18-24(30(7,8)9)20-26(28)32(13,14)15/h17-20H,16H2,1-15H3

InChI Key

ZEFSGHVBJCEKAZ-UHFFFAOYSA-N

Smiles

CCOP(Oc1c(C)cc(cc1C(C)(C)C)C(C)(C)C)Oc1c(C)cc(cc1C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C32H51O3P/c1-16-33-36(34-27-21(2)17-23(29(4,5)6)19-25(27)31(10,11)12)35-28-22(3)18-24(30(7,8)9)20-26(28)32(13,14)15/h17-20H,16H2,1-15H3

Property Name	Value
Molecular Formula	C32H51O3P1
Molecular Weight	514.36
AlogP	10.21
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	6.0
Polar Surface Area	27.69
Heavy Atoms	36.0

Property Name

Value

Molecular Formula

C32H51O3P1

Molecular Weight

514.36

AlogP

10.21

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

6.0

Polar Surface Area

27.69

Heavy Atoms

36.0

Resources	Reference
CAS NUMBER	145650-60-8
NORMAN SUSDAT
PubChem	6850817
ChemSpider	16401069.0

Resources

Reference

CAS NUMBER

145650-60-8

NORMAN SUSDAT

PubChem

6850817

ChemSpider

16401069.0

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

BIS(2,4-DI-TERT-BUTYL-6-METHYLPHENYL)ETHYL PHOSPHITE

Structure

Physicochemical Descriptors

Cross References