EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	H5GKW1LK0O
EPA CompTox	DTXSID90963711

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

H5GKW1LK0O

EPA CompTox

DTXSID90963711


InChI Key	GXANCFOKAWEPIS-UHFFFAOYSA-N
Smiles	O(C=1C=CC(=CC1)C=2C=CC=CC2)CC3OC3
InChI	InChI=1/C15H14O2/c1-2-4-12(5-3-1)13-6-8-14(9-7-13)16-10-15-11-17-15/h1-9,15H,10-11H2

InChI Key

GXANCFOKAWEPIS-UHFFFAOYSA-N

Smiles

O(C=1C=CC(=CC1)C=2C=CC=CC2)CC3OC3

InChI

InChI=1/C15H14O2/c1-2-4-12(5-3-1)13-6-8-14(9-7-13)16-10-15-11-17-15/h1-9,15H,10-11H2

Property Name	Value
Molecular Formula	C15H14O2
Molecular Weight	226.1
AlogP	3.13
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	21.76
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C15H14O2

Molecular Weight

226.1

AlogP

3.13

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

4.0

Polar Surface Area

21.76

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	4698-96-8
NORMAN SUSDAT
FDA SRS	H5GKW1LK0O
PubChem	107325

Resources

Reference

CAS NUMBER

4698-96-8

NORMAN SUSDAT

FDA SRS

H5GKW1LK0O

PubChem

107325

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-(BIPHENYL-4-YLOXY)-2,3-EPOXYPROPANE

Structure

Physicochemical Descriptors

Cross References