EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	8483Q5L5RZ
EPA CompTox	DTXSID30209564

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

8483Q5L5RZ

EPA CompTox

DTXSID30209564


InChI Key	ZIFSLTRSCLGLBD-UHFFFAOYSA-N
Smiles	CC(C)c1c(Cl)cc(C)c(O)c1Cl
InChI	InChI=1S/C10H12Cl2O/c1-5(2)8-7(11)4-6(3)10(13)9(8)12/h4-5,13H,1-3H3

InChI Key

ZIFSLTRSCLGLBD-UHFFFAOYSA-N

Smiles

CC(C)c1c(Cl)cc(C)c(O)c1Cl

InChI

InChI=1S/C10H12Cl2O/c1-5(2)8-7(11)4-6(3)10(13)9(8)12/h4-5,13H,1-3H3

Property Name	Value
Molecular Formula	C10H12Cl2O1
Molecular Weight	218.03
AlogP	4.13
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	20.23
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C10H12Cl2O1

Molecular Weight

218.03

AlogP

4.13

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

20.23

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	60741-51-7
NORMAN SUSDAT
FDA SRS	8483Q5L5RZ
PubChem	109008
ChemSpider	98026.0

Resources

Reference

CAS NUMBER

60741-51-7

NORMAN SUSDAT

FDA SRS

8483Q5L5RZ

PubChem

109008

ChemSpider

98026.0

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

2,4-DICHLORO-6-METHYL-3-(1-METHYLETHYL)PHENOL

Structure

Physicochemical Descriptors

Cross References