EcoDrugPlus


Keyword(s):	Food Contact Chemicals ; Plastic additives ; Indoor Environment Substances
Molecule Category	Free-form
UNII	R8994A0904
EPA CompTox	DTXSID1029120

Keyword(s):

Food Contact Chemicals ; Plastic additives ; Indoor Environment Substances

Molecule Category

Free-form

UNII

R8994A0904

EPA CompTox

DTXSID1029120


InChI Key	VCCBEIPGXKNHFW-UHFFFAOYSA-N
Smiles	Oc1ccc(cc1)-c1ccc(O)cc1
InChI	InChI=1S/C12H10O2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,13-14H

InChI Key

VCCBEIPGXKNHFW-UHFFFAOYSA-N

Smiles

Oc1ccc(cc1)-c1ccc(O)cc1

InChI

InChI=1S/C12H10O2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,13-14H

Property Name	Value
Molecular Formula	C12H10O2
Molecular Weight	186.07
AlogP	2.76
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	40.46
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C12H10O2

Molecular Weight

186.07

AlogP

2.76

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

40.46

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	92-88-6
NORMAN SUSDAT
FDA SRS	R8994A0904
PubChem	7112
ChemSpider	6845.0

Resources

Reference

CAS NUMBER

92-88-6

NORMAN SUSDAT

FDA SRS

R8994A0904

PubChem

7112

ChemSpider

6845.0

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

4,4'-BIPHENYLDIOL

Structure

Physicochemical Descriptors

Cross References