EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Free-form
UNII	0F32U78V2Q
EPA CompTox	DTXSID0032316

Keyword(s):

Food Contact Chemicals

Molecule Category

Free-form

UNII

0F32U78V2Q

EPA CompTox

DTXSID0032316


InChI Key	OSDLLIBGSJNGJE-UHFFFAOYSA-N
Smiles	Cc1cc(O)cc(C)c1Cl
InChI	InChI=1S/C8H9ClO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3

InChI Key

OSDLLIBGSJNGJE-UHFFFAOYSA-N

Smiles

Cc1cc(O)cc(C)c1Cl

InChI

InChI=1S/C8H9ClO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3

Property Name	Value
Molecular Formula	C8H9Cl1O1
Molecular Weight	156.03
AlogP	2.66
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Polar Surface Area	20.23
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C8H9Cl1O1

Molecular Weight

156.03

AlogP

2.66

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Polar Surface Area

20.23

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	88-04-0
NORMAN SUSDAT
FDA SRS	0F32U78V2Q
PubChem	2723
ChemSpider	21106017.0

Resources

Reference

CAS NUMBER

88-04-0

NORMAN SUSDAT

FDA SRS

0F32U78V2Q

PubChem

2723

ChemSpider

21106017.0

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

4-CHLORO-3,5-DIMETHYLPHENOL

Structure

Physicochemical Descriptors

Cross References