EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	8SLB83C4SF
EPA CompTox	DTXSID40239832

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

8SLB83C4SF

EPA CompTox

DTXSID40239832


InChI Key	QAASULYKVXLJKW-UHFFFAOYSA-N
Smiles	CC(C)c1cccc(C2CCCC2)c1O
InChI	InChI=1S/C14H20O/c1-10(2)12-8-5-9-13(14(12)15)11-6-3-4-7-11/h5,8-11,15H,3-4,6-7H2,1-2H3

InChI Key

QAASULYKVXLJKW-UHFFFAOYSA-N

Smiles

CC(C)c1cccc(C2CCCC2)c1O

InChI

InChI=1S/C14H20O/c1-10(2)12-8-5-9-13(14(12)15)11-6-3-4-7-11/h5,8-11,15H,3-4,6-7H2,1-2H3

Property Name	Value
Molecular Formula	C14H20O1
Molecular Weight	204.15
AlogP	4.17
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	20.23
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C14H20O1

Molecular Weight

204.15

AlogP

4.17

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

20.23

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	93892-30-9
NORMAN SUSDAT
FDA SRS	8SLB83C4SF
PubChem	3022767
ChemSpider	2289184.0

Resources

Reference

CAS NUMBER

93892-30-9

NORMAN SUSDAT

FDA SRS

8SLB83C4SF

PubChem

3022767

ChemSpider

2289184.0

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...

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

Last update: Monday, 3 November 2025

2-CYCLOPENTYL-6-ISOPROPYLPHENOL

Structure

Physicochemical Descriptors

Cross References