EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	D9TZ52DP3Q
EPA CompTox	DTXSID70147259

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

D9TZ52DP3Q

EPA CompTox

DTXSID70147259


InChI Key	JEOOYEDQODNSOL-UHFFFAOYSA-N
Smiles	Cc1cc(cc(C)c1O)C1CCCCC1
InChI	InChI=1S/C14H20O/c1-10-8-13(9-11(2)14(10)15)12-6-4-3-5-7-12/h8-9,12,15H,3-7H2,1-2H3

InChI Key

JEOOYEDQODNSOL-UHFFFAOYSA-N

Smiles

Cc1cc(cc(C)c1O)C1CCCCC1

InChI

InChI=1S/C14H20O/c1-10-8-13(9-11(2)14(10)15)12-6-4-3-5-7-12/h8-9,12,15H,3-7H2,1-2H3

Property Name	Value
Molecular Formula	C14H20O1
Molecular Weight	204.15
AlogP	4.06
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	20.23
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C14H20O1

Molecular Weight

204.15

AlogP

4.06

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

20.23

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	10570-68-0
NORMAN SUSDAT
FDA SRS	D9TZ52DP3Q
PubChem	82731
ChemSpider	74660.0

Resources

Reference

CAS NUMBER

10570-68-0

NORMAN SUSDAT

FDA SRS

D9TZ52DP3Q

PubChem

82731

ChemSpider

74660.0

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-CYCLOHEXYL-2,6-XYLENOL

Structure

Physicochemical Descriptors

Cross References