EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form

Keyword(s):

Human Metabolites

Molecule Category

Free-form


InChI Key	XSAHYEQPUFJGKW-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCc1ccc(Oc2ccccc2)cc1
InChI	InChI=1S/C24H34O/c1-2-3-4-5-6-7-8-9-10-12-15-22-18-20-24(21-19-22)25-23-16-13-11-14-17-23/h11,13-14,16-21H,2-10,12,15H2,1H3

InChI Key

XSAHYEQPUFJGKW-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCc1ccc(Oc2ccccc2)cc1

InChI

InChI=1S/C24H34O/c1-2-3-4-5-6-7-8-9-10-12-15-22-18-20-24(21-19-22)25-23-16-13-11-14-17-23/h11,13-14,16-21H,2-10,12,15H2,1H3

Property Name	Value
Molecular Formula	C24H34O1
Molecular Weight	338.26
AlogP	7.94
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	13.0
Polar Surface Area	9.23
Heavy Atoms	25.0

Property Name

Value

Molecular Formula

C24H34O1

Molecular Weight

338.26

AlogP

7.94

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

13.0

Polar Surface Area

9.23

Heavy Atoms

25.0

Resources	Reference
CAS NUMBER	119345-02-7
NORMAN SUSDAT
PubChem	86401
ChemSpider	77918.0

Resources

Reference

CAS NUMBER

119345-02-7

NORMAN SUSDAT

PubChem

86401

ChemSpider

77918.0

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

1-DODECYL-4-PHENOXYBENZENE

Structure

Physicochemical Descriptors

Cross References