EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	9WMG95WM69
EPA CompTox	DTXSID6069086

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

9WMG95WM69

EPA CompTox

DTXSID6069086


InChI Key	QFFLBMLWXFZRRN-UHFFFAOYSA-N
Smiles	COc1ccc(OCOc2ccc(OC)cc2)cc1
InChI	InChI=1S/C15H16O4/c1-16-12-3-7-14(8-4-12)18-11-19-15-9-5-13(17-2)6-10-15/h3-10H,11H2,1-2H3

InChI Key

QFFLBMLWXFZRRN-UHFFFAOYSA-N

Smiles

COc1ccc(OCOc2ccc(OC)cc2)cc1

InChI

InChI=1S/C15H16O4/c1-16-12-3-7-14(8-4-12)18-11-19-15-9-5-13(17-2)6-10-15/h3-10H,11H2,1-2H3

Property Name	Value
Molecular Formula	C15H16O4
Molecular Weight	260.1
AlogP	3.12
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	6.0
Polar Surface Area	36.92
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C15H16O4

Molecular Weight

260.1

AlogP

3.12

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

6.0

Polar Surface Area

36.92

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	56207-34-2
NORMAN SUSDAT
FDA SRS	9WMG95WM69
PubChem	92059
ChemSpider	83119.0

Resources

Reference

CAS NUMBER

56207-34-2

NORMAN SUSDAT

FDA SRS

9WMG95WM69

PubChem

92059

ChemSpider

83119.0

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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

Last update: Monday, 3 November 2025

4,4-METHYLENEBIS(OXY)ANISOLE

Structure

Physicochemical Descriptors

Cross References