EcoDrugPlus


Synonyms	Biphenyl dimethyl dicarboxylate Dimethyl 4,4'-biphenyldicarboxylate Nissel
Status
Molecule Category	Free-form
UNII	K61BXA0U9C
EPA CompTox	DTXSID2061143

Synonyms

Biphenyl dimethyl dicarboxylate

Dimethyl 4,4'-biphenyldicarboxylate

Nissel

Status

Molecule Category

Free-form

UNII

K61BXA0U9C

EPA CompTox

DTXSID2061143


InChI Key	BKRIRZXWWALTPU-UHFFFAOYSA-N
Smiles	COC(=O)c1ccc(-c2ccc(C(=O)OC)cc2)cc1
InChI	InChI=1S/C16H14O4/c1-19-15(17)13-7-3-11(4-8-13)12-5-9-14(10-6-12)16(18)20-2/h3-10H,1-2H3

InChI Key

BKRIRZXWWALTPU-UHFFFAOYSA-N

Smiles

COC(=O)c1ccc(-c2ccc(C(=O)OC)cc2)cc1

InChI

InChI=1S/C16H14O4/c1-19-15(17)13-7-3-11(4-8-13)12-5-9-14(10-6-12)16(18)20-2/h3-10H,1-2H3

Property Name	Value
Molecular Formula	C16H14O4
Molecular Weight	270.28
AlogP	2.93
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	3.0
Polar Surface Area	52.6
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C16H14O4

Molecular Weight

270.28

AlogP

2.93

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

3.0

Polar Surface Area

52.6

Heavy Atoms

20.0

Resources	Reference
ChEMBL	CHEMBL4297409
DrugBank	DB12475
FDA SRS	K61BXA0U9C
PubChem	13099
SureChEMBL	SCHEMBL68521
ZINC	ZINC000000132343

Resources

Reference

ChEMBL

DrugBank

FDA SRS

PubChem

SureChEMBL

ZINC

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

BIPHENYL DIMETHYL DICARBOXYLATE

Structure

Physicochemical Descriptors

Cross References