EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	QR4KQA392J
EPA CompTox	DTXSID30214259

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

QR4KQA392J

EPA CompTox

DTXSID30214259


InChI Key	IZJOSLLELCZERT-UHFFFAOYSA-N
Smiles	Cc1cc(C2CCCC2)c(O)c(Cc2cc(C)cc(C3CCCC3)c2O)c1
InChI	InChI=1S/C25H32O2/c1-16-11-20(24(26)22(13-16)18-7-3-4-8-18)15-21-12-17(2)14-23(25(21)27)19-9-5-6-10-19/h11-14,18-19,26-27H,3-10,15H2,1-2H3

InChI Key

IZJOSLLELCZERT-UHFFFAOYSA-N

Smiles

Cc1cc(C2CCCC2)c(O)c(Cc2cc(C)cc(C3CCCC3)c2O)c1

InChI

InChI=1S/C25H32O2/c1-16-11-20(24(26)22(13-16)18-7-3-4-8-18)15-21-12-17(2)14-23(25(21)27)19-9-5-6-10-19/h11-14,18-19,26-27H,3-10,15H2,1-2H3

Property Name	Value
Molecular Formula	C25H32O2
Molecular Weight	364.24
AlogP	6.62
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	40.46
Heavy Atoms	27.0

Property Name

Value

Molecular Formula

C25H32O2

Molecular Weight

364.24

AlogP

6.62

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

4.0

Polar Surface Area

40.46

Heavy Atoms

27.0

Resources	Reference
CAS NUMBER	64062-73-3
NORMAN SUSDAT
FDA SRS	QR4KQA392J
PubChem	6454783
ChemSpider	4957086.0

Resources

Reference

CAS NUMBER

64062-73-3

NORMAN SUSDAT

FDA SRS

QR4KQA392J

PubChem

6454783

ChemSpider

4957086.0

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

2,2'-METHYLENEBIS(6-CYCLOPENTYL-P-CRESOL)

Structure

Physicochemical Descriptors

Cross References