EcoDrugPlus


Keyword(s):	Industrial Chemicals
Molecule Category	Free-form
EPA CompTox	DTXSID70897388

Keyword(s):

Industrial Chemicals

Molecule Category

Free-form

EPA CompTox

DTXSID70897388


InChI Key	ISEZIKPQCNGTNC-UHFFFAOYSA-N
Smiles	OC1=CC=C(CCCCCCCC2=CC=C(O)C=C2)C=C1
InChI	InChI=1S/C19H24O2/c20-18-12-8-16(9-13-18)6-4-2-1-3-5-7-17-10-14-19(21)15-11-17/h8-15,20-21H,1-7H2

InChI Key

ISEZIKPQCNGTNC-UHFFFAOYSA-N

Smiles

OC1=CC=C(CCCCCCCC2=CC=C(O)C=C2)C=C1

InChI

InChI=1S/C19H24O2/c20-18-12-8-16(9-13-18)6-4-2-1-3-5-7-17-10-14-19(21)15-11-17/h8-15,20-21H,1-7H2

Property Name	Value
Molecular Formula	C19H24O2
Molecular Weight	284.18
AlogP	4.83
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	8.0
Polar Surface Area	40.46
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C19H24O2

Molecular Weight

284.18

AlogP

4.83

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

8.0

Polar Surface Area

40.46

Heavy Atoms

21.0

Resources	Reference
CAS NUMBER	3373-03-3
NORMAN SUSDAT

Resources

Reference

CAS NUMBER

3373-03-3

NORMAN SUSDAT

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

4,4'-HEPTYLIDENEBISPHENOL

Structure

Physicochemical Descriptors

Cross References