EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID10884873

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID10884873


InChI Key	JYHNNCBQCSLFQM-UHFFFAOYSA-N
Smiles	OC1=CC=C(O)C2=C1C3CCC2C3
InChI	InChI=1/C11H12O2/c12-8-3-4-9(13)11-7-2-1-6(5-7)10(8)11/h3-4,6-7,12-13H,1-2,5H2

InChI Key

JYHNNCBQCSLFQM-UHFFFAOYSA-N

Smiles

OC1=CC=C(O)C2=C1C3CCC2C3

InChI

InChI=1/C11H12O2/c12-8-3-4-9(13)11-7-2-1-6(5-7)10(8)11/h3-4,6-7,12-13H,1-2,5H2

Property Name	Value
Molecular Formula	C11H12O2
Molecular Weight	176.08
AlogP	2.46
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Polar Surface Area	40.46
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C11H12O2

Molecular Weight

176.08

AlogP

2.46

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Polar Surface Area

40.46

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	16144-91-5
NORMAN SUSDAT
PubChem	85967

Resources

Reference

CAS NUMBER

16144-91-5

NORMAN SUSDAT

PubChem

85967

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

1,2,3,4-TETRAHYDRO-1,4-METHANONAPHTHALENE-5,8-DIOL

Structure

Physicochemical Descriptors

Cross References