EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID10222251

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID10222251


InChI Key	MCSAAIIHOSTYBC-UHFFFAOYSA-N
Smiles	Cc1ccccc1c1cc(O)ccc1
InChI	InChI=1S/C13H12O/c1-10-5-2-3-8-13(10)11-6-4-7-12(14)9-11/h2-9,14H,1H3

InChI Key

MCSAAIIHOSTYBC-UHFFFAOYSA-N

Smiles

Cc1ccccc1c1cc(O)ccc1

InChI

InChI=1S/C13H12O/c1-10-5-2-3-8-13(10)11-6-4-7-12(14)9-11/h2-9,14H,1H3

Property Name	Value
Molecular Formula	C13H12O1
Molecular Weight	184.09
AlogP	3.37
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	20.23
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C13H12O1

Molecular Weight

184.09

AlogP

3.37

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

20.23

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	71965-05-4
NORMAN SUSDAT
PubChem	20099948
ChemSpider	12929761.0

Resources

Reference

CAS NUMBER

71965-05-4

NORMAN SUSDAT

PubChem

20099948

ChemSpider

12929761.0

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

2'-METHYL(1,1'-BIPHENYL)-3-OL

Structure

Physicochemical Descriptors

Cross References