EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	H652F6XF7Y
EPA CompTox	DTXSID20211035

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

H652F6XF7Y

EPA CompTox

DTXSID20211035


InChI Key	OKVJCVWFVRATSG-UHFFFAOYSA-N
Smiles	C1=CC(=CC(=C1)O)CO
InChI	InChI=1S/C7H8O2/c8-5-6-2-1-3-7(9)4-6/h1-4,8-9H,5H2

InChI Key

OKVJCVWFVRATSG-UHFFFAOYSA-N

Smiles

C1=CC(=CC(=C1)O)CO

InChI

InChI=1S/C7H8O2/c8-5-6-2-1-3-7(9)4-6/h1-4,8-9H,5H2

Property Name	Value
Molecular Formula	C7H8O2
Molecular Weight	124.05
AlogP	0.88
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	40.46
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C7H8O2

Molecular Weight

124.05

AlogP

0.88

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

40.46

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	620-24-6
NORMAN SUSDAT
FDA SRS	H652F6XF7Y
PubChem	102
ChemSpider	100.0

Resources

Reference

CAS NUMBER

620-24-6

NORMAN SUSDAT

FDA SRS

H652F6XF7Y

PubChem

102

ChemSpider

100.0

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-HYDROXYBENZYL ALCOHOL

Structure

Physicochemical Descriptors

Cross References