EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	ZYU7R74XJG
EPA CompTox	DTXSID30208279

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

ZYU7R74XJG

EPA CompTox

DTXSID30208279


InChI Key	CVZUPKFPOSRRSK-UHFFFAOYSA-N
Smiles	OC1(c2ccccc2)c2ccccc2Oc2c1cccc2
InChI	InChI=1S/C19H14O2/c20-19(14-8-2-1-3-9-14)15-10-4-6-12-17(15)21-18-13-7-5-11-16(18)19/h1-13,20H

InChI Key

CVZUPKFPOSRRSK-UHFFFAOYSA-N

Smiles

OC1(c2ccccc2)c2ccccc2Oc2c1cccc2

InChI

InChI=1S/C19H14O2/c20-19(14-8-2-1-3-9-14)15-10-4-6-12-17(15)21-18-13-7-5-11-16(18)19/h1-13,20H

Property Name	Value
Molecular Formula	C19H14O2
Molecular Weight	274.1
AlogP	4.08
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	29.46
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C19H14O2

Molecular Weight

274.1

AlogP

4.08

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

29.46

Heavy Atoms

21.0

Resources	Reference
CAS NUMBER	596-38-3
NORMAN SUSDAT
FDA SRS	ZYU7R74XJG
PubChem	68997
ChemSpider	62219.0

Resources

Reference

CAS NUMBER

596-38-3

NORMAN SUSDAT

FDA SRS

ZYU7R74XJG

PubChem

68997

ChemSpider

62219.0

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

9-PHENYLXANTHEN-9-OL

Structure

Physicochemical Descriptors

Cross References