EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	6Y76DN9JW5
EPA CompTox	DTXSID40209691

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

6Y76DN9JW5

EPA CompTox

DTXSID40209691


InChI Key	ZIVPLQNIQDIJBX-UHFFFAOYSA-N
Smiles	CC(C)Cc1ccc(C)c2c1cccc2
InChI	InChI=1S/C15H18/c1-11(2)10-13-9-8-12(3)14-6-4-5-7-15(13)14/h4-9,11H,10H2,1-3H3

InChI Key

ZIVPLQNIQDIJBX-UHFFFAOYSA-N

Smiles

CC(C)Cc1ccc(C)c2c1cccc2

InChI

InChI=1S/C15H18/c1-11(2)10-13-9-8-12(3)14-6-4-5-7-15(13)14/h4-9,11H,10H2,1-3H3

Property Name	Value
Molecular Formula	C15H18
Molecular Weight	198.14
AlogP	4.35
Number of Rotational Bond	2.0
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C15H18

Molecular Weight

198.14

AlogP

4.35

Number of Rotational Bond

2.0

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	60848-32-0
NORMAN SUSDAT
FDA SRS	6Y76DN9JW5
PubChem	3017207
ChemSpider	2284986.0

Resources

Reference

CAS NUMBER

60848-32-0

NORMAN SUSDAT

FDA SRS

6Y76DN9JW5

PubChem

3017207

ChemSpider

2284986.0

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-METHYL-4-(2-METHYLPROPYL)NAPHTHALENE

Structure

Physicochemical Descriptors

Cross References