EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	8X3183BZ3X
EPA CompTox	DTXSID40863353

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

8X3183BZ3X

EPA CompTox

DTXSID40863353


InChI Key	GBGPVUAOTCNZPT-UHFFFAOYSA-N
Smiles	O1C=2C=CC=CC2C=C1C
InChI	InChI=1/C9H8O/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6H,1H3

InChI Key

GBGPVUAOTCNZPT-UHFFFAOYSA-N

Smiles

O1C=2C=CC=CC2C=C1C

InChI

InChI=1/C9H8O/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6H,1H3

Property Name	Value
Molecular Formula	C9H8O
Molecular Weight	132.06
AlogP	2.74
Hydrogen Bond Acceptor	1.0
Polar Surface Area	13.14
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C9H8O

Molecular Weight

132.06

AlogP

2.74

Hydrogen Bond Acceptor

1.0

Polar Surface Area

13.14

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	4265-25-2
NORMAN SUSDAT
FDA SRS	8X3183BZ3X
PubChem	20263

Resources

Reference

CAS NUMBER

4265-25-2

NORMAN SUSDAT

FDA SRS

8X3183BZ3X

PubChem

20263

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

2-METHYLBENZOFURAN

Structure

Physicochemical Descriptors

Cross References