EcoDrugPlus


Keyword(s):	Drinking Water Chemicals
Molecule Category	Free-form
UNII	32W7044A3T
EPA CompTox	DTXSID0025571

Keyword(s):

Drinking Water Chemicals

Molecule Category

Free-form

UNII

32W7044A3T

EPA CompTox

DTXSID0025571


InChI Key	ZTMADXFOCUXMJE-UHFFFAOYSA-N
Smiles	Cc1c(O)cccc1O
InChI	InChI=1S/C7H8O2/c1-5-6(8)3-2-4-7(5)9/h2-4,8-9H,1H3

InChI Key

ZTMADXFOCUXMJE-UHFFFAOYSA-N

Smiles

Cc1c(O)cccc1O

InChI

InChI=1S/C7H8O2/c1-5-6(8)3-2-4-7(5)9/h2-4,8-9H,1H3

Property Name	Value
Molecular Formula	C7H8O2
Molecular Weight	124.05
AlogP	1.41
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Polar Surface Area	40.46
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C7H8O2

Molecular Weight

124.05

AlogP

1.41

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Polar Surface Area

40.46

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	608-25-3
NORMAN SUSDAT
FDA SRS	32W7044A3T
PubChem	11843
ChemSpider	11350.0

Resources

Reference

CAS NUMBER

608-25-3

NORMAN SUSDAT

FDA SRS

32W7044A3T

PubChem

11843

ChemSpider

11350.0

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-METHYL-1,3-BENZENEDIOL

Structure

Physicochemical Descriptors

Cross References