EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	YUF33E133Y
EPA CompTox	DTXSID2052314

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

YUF33E133Y

EPA CompTox

DTXSID2052314


InChI Key	FYERTDTXGGOMGT-UHFFFAOYSA-N
Smiles	CCOC(Cc1ccccc1)OCC
InChI	InChI=1S/C12H18O2/c1-3-13-12(14-4-2)10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3

InChI Key

FYERTDTXGGOMGT-UHFFFAOYSA-N

Smiles

CCOC(Cc1ccccc1)OCC

InChI

InChI=1S/C12H18O2/c1-3-13-12(14-4-2)10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3

Property Name	Value
Molecular Formula	C12H18O2
Molecular Weight	194.13
AlogP	2.63
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	6.0
Polar Surface Area	18.46
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C12H18O2

Molecular Weight

194.13

AlogP

2.63

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

6.0

Polar Surface Area

18.46

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	6314-97-2
NORMAN SUSDAT
FDA SRS	YUF33E133Y
PubChem	80584
ChemSpider	72775.0

Resources

Reference

CAS NUMBER

6314-97-2

NORMAN SUSDAT

FDA SRS

YUF33E133Y

PubChem

80584

ChemSpider

72775.0

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

(2,2-DIETHOXYETHYL)BENZENE

Structure

Physicochemical Descriptors

Cross References