EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	HXB7441U87
EPA CompTox	DTXSID0022012

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

HXB7441U87

EPA CompTox

DTXSID0022012


InChI Key	ASHGTJPOSUFTGB-UHFFFAOYSA-N
Smiles	COc1cccc(O)c1
InChI	InChI=1S/C7H8O2/c1-9-7-4-2-3-6(8)5-7/h2-5,8H,1H3

InChI Key

ASHGTJPOSUFTGB-UHFFFAOYSA-N

Smiles

COc1cccc(O)c1

InChI

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

Property Name	Value
Molecular Formula	C7H8O2
Molecular Weight	124.05
AlogP	1.4
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	29.46
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C7H8O2

Molecular Weight

124.05

AlogP

1.4

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

29.46

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	150-19-6
NORMAN SUSDAT
FDA SRS	HXB7441U87
PubChem	9007
ChemSpider	8657.0

Resources

Reference

CAS NUMBER

150-19-6

NORMAN SUSDAT

FDA SRS

HXB7441U87

PubChem

9007

ChemSpider

8657.0

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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

Last update: Monday, 3 November 2025

3-METHOXYPHENOL

Structure

Physicochemical Descriptors

Cross References