EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	OT3GW37Z9E
EPA CompTox	DTXSID6041216

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

OT3GW37Z9E

EPA CompTox

DTXSID6041216


InChI Key	RBEICLNUPBZRMH-UHFFFAOYSA-N
Smiles	COC1=CC=C(C=C1)C(C(Cl)Cl)C1=CC=C(OC)C=C1
InChI	InChI=1S/C16H16Cl2O2/c1-19-13-7-3-11(4-8-13)15(16(17)18)12-5-9-14(20-2)10-6-12/h3-10,15-16H,1-2H3

InChI Key

RBEICLNUPBZRMH-UHFFFAOYSA-N

Smiles

COC1=CC=C(C=C1)C(C(Cl)Cl)C1=CC=C(OC)C=C1

InChI

InChI=1S/C16H16Cl2O2/c1-19-13-7-3-11(4-8-13)15(16(17)18)12-5-9-14(20-2)10-6-12/h3-10,15-16H,1-2H3

Property Name	Value
Molecular Formula	C16H16Cl2O2
Molecular Weight	310.05
AlogP	4.64
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	5.0
Polar Surface Area	18.46
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C16H16Cl2O2

Molecular Weight

310.05

AlogP

4.64

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

5.0

Polar Surface Area

18.46

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	7388-31-0
NORMAN SUSDAT
FDA SRS	OT3GW37Z9E

Resources

Reference

CAS NUMBER

7388-31-0

NORMAN SUSDAT

FDA SRS

OT3GW37Z9E

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-DICHLORO-2,2-BIS(4-METHOXYPHENYL)ETHANE

Structure

Physicochemical Descriptors

Cross References