EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	87652943HP
EPA CompTox	DTXSID7027174

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

87652943HP

EPA CompTox

DTXSID7027174


InChI Key	JAAJQSRLGAYGKZ-UHFFFAOYSA-N
Smiles	OC1CCCc2ccccc12
InChI	InChI=1S/C10H12O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10-11H,3,5,7H2

InChI Key

JAAJQSRLGAYGKZ-UHFFFAOYSA-N

Smiles

OC1CCCc2ccccc12

InChI

InChI=1S/C10H12O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10-11H,3,5,7H2

Property Name	Value
Molecular Formula	C10H12O1
Molecular Weight	148.09
AlogP	2.06
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Polar Surface Area	20.23
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C10H12O1

Molecular Weight

148.09

AlogP

2.06

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Polar Surface Area

20.23

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	529-33-9
NORMAN SUSDAT
FDA SRS	87652943HP
ChemSpider	10272.0

Resources

Reference

CAS NUMBER

529-33-9

NORMAN SUSDAT

FDA SRS

87652943HP

ChemSpider

10272.0

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...

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

Last update: Monday, 3 November 2025

1,2,3,4-TETRAHYDRONAPHTHALEN-1-OL

Structure

Physicochemical Descriptors

Cross References