EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	MHJ2G8A42S
EPA CompTox	DTXSID40173823

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

MHJ2G8A42S

EPA CompTox

DTXSID40173823


InChI Key	FNOSNNPSTLUBPC-UHFFFAOYSA-N
Smiles	O=C(Cc1ccccc1)c1ccc(cc1)c1ccccc1
InChI	InChI=1S/C20H16O/c21-20(15-16-7-3-1-4-8-16)19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14H,15H2

InChI Key

FNOSNNPSTLUBPC-UHFFFAOYSA-N

Smiles

O=C(Cc1ccccc1)c1ccc(cc1)c1ccccc1

InChI

InChI=1S/C20H16O/c21-20(15-16-7-3-1-4-8-16)19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14H,15H2

Property Name	Value
Molecular Formula	C20H16O1
Molecular Weight	272.12
AlogP	4.78
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	17.07
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C20H16O1

Molecular Weight

272.12

AlogP

4.78

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

4.0

Polar Surface Area

17.07

Heavy Atoms

21.0

Resources	Reference
CAS NUMBER	2001-23-2
NORMAN SUSDAT
FDA SRS	MHJ2G8A42S
PubChem	74817
ChemSpider	67384.0

Resources

Reference

CAS NUMBER

2001-23-2

NORMAN SUSDAT

FDA SRS

MHJ2G8A42S

PubChem

74817

ChemSpider

67384.0

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...

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Last update: Monday, 3 November 2025

1-(1,1'-BIPHENYL)-4-YL-2-PHENYLETHAN-1-ONE

Structure

Physicochemical Descriptors

Cross References