EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	20F4R79OM2
EPA CompTox	DTXSID8060957

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

20F4R79OM2

EPA CompTox

DTXSID8060957


InChI Key	SGWZVZZVXOJRAQ-UHFFFAOYSA-N
Smiles	Cc1cc(O)cc(C)c1O
InChI	InChI=1S/C8H10O2/c1-5-3-7(9)4-6(2)8(5)10/h3-4,9-10H,1-2H3

InChI Key

SGWZVZZVXOJRAQ-UHFFFAOYSA-N

Smiles

Cc1cc(O)cc(C)c1O

InChI

InChI=1S/C8H10O2/c1-5-3-7(9)4-6(2)8(5)10/h3-4,9-10H,1-2H3

Property Name	Value
Molecular Formula	C8H10O2
Molecular Weight	138.07
AlogP	1.71
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Polar Surface Area	40.46
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C8H10O2

Molecular Weight

138.07

AlogP

1.71

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Polar Surface Area

40.46

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	654-42-2
NORMAN SUSDAT
FDA SRS	20F4R79OM2
PubChem	69560
ChemSpider	62764.0

Resources

Reference

CAS NUMBER

654-42-2

NORMAN SUSDAT

FDA SRS

20F4R79OM2

PubChem

69560

ChemSpider

62764.0

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

1,4-BENZENEDIOL, 2,6-DIMETHYL-

Structure

Physicochemical Descriptors

Cross References