EcoDrugPlus


Keyword(s):	Plastic additives ; Food Contact Chemicals
Molecule Category	Free-form
UNII	7R9SWM24D0
EPA CompTox	DTXSID50453547

Keyword(s):

Plastic additives ; Food Contact Chemicals

Molecule Category

Free-form

UNII

7R9SWM24D0

EPA CompTox

DTXSID50453547


InChI Key	ZWINORFLMHROGF-UHFFFAOYSA-N
Smiles	COCC1(COC)C2=CC=CC=C2C2=CC=CC=C12
InChI	InChI=1S/C17H18O2/c1-18-11-17(12-19-2)15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10H,11-12H2,1-2H3

InChI Key

ZWINORFLMHROGF-UHFFFAOYSA-N

Smiles

COCC1(COC)C2=CC=CC=C2C2=CC=CC=C12

InChI

InChI=1S/C17H18O2/c1-18-11-17(12-19-2)15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10H,11-12H2,1-2H3

Property Name	Value
Molecular Formula	C17H18O2
Molecular Weight	254.13
AlogP	3.25
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	18.46
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C17H18O2

Molecular Weight

254.13

AlogP

3.25

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

4.0

Polar Surface Area

18.46

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	182121-12-6
NORMAN SUSDAT
FDA SRS	7R9SWM24D0

Resources

Reference

CAS NUMBER

182121-12-6

NORMAN SUSDAT

FDA SRS

7R9SWM24D0

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

9,9-BIS(METHOXYMETHYL)FLUORENE

Structure

Physicochemical Descriptors

Cross References