EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	P2EA3L2MWN
EPA CompTox	DTXSID10207240

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

P2EA3L2MWN

EPA CompTox

DTXSID10207240


InChI Key	FDAZSZUYCOPJED-UHFFFAOYSA-N
Smiles	OCCCCCCCCCCCCC(C)C
InChI	InChI=1/C15H32O/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16/h15-16H,3-14H2,1-2H3

InChI Key

FDAZSZUYCOPJED-UHFFFAOYSA-N

Smiles

OCCCCCCCCCCCCC(C)C

InChI

InChI=1/C15H32O/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16/h15-16H,3-14H2,1-2H3

Property Name	Value
Molecular Formula	C15H32O
Molecular Weight	228.25
AlogP	4.93
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	12.0
Polar Surface Area	20.23
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C15H32O

Molecular Weight

228.25

AlogP

4.93

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

12.0

Polar Surface Area

20.23

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	20194-47-2
NORMAN SUSDAT
FDA SRS	P2EA3L2MWN
PubChem	94094

Resources

Reference

CAS NUMBER

20194-47-2

NORMAN SUSDAT

FDA SRS

P2EA3L2MWN

PubChem

94094

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

ISOPENTADECAN-1-OL

Structure

Physicochemical Descriptors

Cross References