CHLOROXYLENOL

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Search structure


Synonyms	Chloroxylenol NSC-4971 P-chloro-m-xylenol Parachlorometoxylenol
Status
Molecule Category	Free-form
ATC	D08AE05
UNII	0F32U78V2Q
EPA CompTox	DTXSID0032316

Structure


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

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C8H9ClO
Molecular Weight	156.61
AlogP	2.66
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Polar Surface Area	20.23
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	10.0

Pharmacology

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	116.84-121.14

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cricetulus griseus	-	-	-	-	116.84-121.14

Cross References

Resources	Reference
ChEBI	34393
ChEMBL	CHEMBL398440
DrugBank	DB11121
DrugCentral	3094
FDA SRS	0F32U78V2Q
KEGG	C14715
PubChem	2723
SureChEMBL	SCHEMBL34163
ZINC	ZINC000000001132

CONTENTS

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