EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	FA3P0U4OWZ
EPA CompTox	DTXSID30185915

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

FA3P0U4OWZ

EPA CompTox

DTXSID30185915


InChI Key	HUXGFSJRCMJOAK-UHFFFAOYSA-N
Smiles	COCC(=O)c1ccc(O)cc1
InChI	InChI=1S/C9H10O3/c1-12-6-9(11)7-2-4-8(10)5-3-7/h2-5,10H,6H2,1H3

InChI Key

HUXGFSJRCMJOAK-UHFFFAOYSA-N

Smiles

COCC(=O)c1ccc(O)cc1

InChI

InChI=1S/C9H10O3/c1-12-6-9(11)7-2-4-8(10)5-3-7/h2-5,10H,6H2,1H3

Property Name	Value
Molecular Formula	C9H10O3
Molecular Weight	166.06
AlogP	1.22
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	46.53
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C9H10O3

Molecular Weight

166.06

AlogP

1.22

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

3.0

Polar Surface Area

46.53

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	32136-81-5
NORMAN SUSDAT
FDA SRS	FA3P0U4OWZ
PubChem	3015614
ChemSpider	2283721.0

Resources

Reference

CAS NUMBER

32136-81-5

NORMAN SUSDAT

FDA SRS

FA3P0U4OWZ

PubChem

3015614

ChemSpider

2283721.0

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

1-(4-HYDROXYPHENYL)-2-METHOXYETHAN-1-ONE

Structure

Physicochemical Descriptors

Cross References