EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	036WEA2OUD
EPA CompTox	DTXSID2060620

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

036WEA2OUD

EPA CompTox

DTXSID2060620


InChI Key	RHDYQUZYHZWTCI-UHFFFAOYSA-N
Smiles	COc1ccc(cc1)c1ccccc1
InChI	InChI=1S/C13H12O/c1-14-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3

InChI Key

RHDYQUZYHZWTCI-UHFFFAOYSA-N

Smiles

COc1ccc(cc1)c1ccccc1

InChI

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

Property Name	Value
Molecular Formula	C13H12O1
Molecular Weight	184.09
AlogP	3.36
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	9.23
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C13H12O1

Molecular Weight

184.09

AlogP

3.36

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

9.23

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	613-37-6
NORMAN SUSDAT
FDA SRS	036WEA2OUD
PubChem	11943
ChemSpider	11449.0

Resources

Reference

CAS NUMBER

613-37-6

NORMAN SUSDAT

FDA SRS

036WEA2OUD

PubChem

11943

ChemSpider

11449.0

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

1,1'-BIPHENYL, 4-METHOXY-

Structure

Physicochemical Descriptors

Cross References