EcoDrugPlus


Keyword(s):	Industrial Chemicals
Molecule Category	Free-form
UNII	87K7BRI932
EPA CompTox	DTXSID3060667

Keyword(s):

Industrial Chemicals

Molecule Category

Free-form

UNII

87K7BRI932

EPA CompTox

DTXSID3060667


InChI Key	ZZZRZBIPCKQDQR-UHFFFAOYSA-N
Smiles	Cc1cc(cc(c1O)C(C)(C)C)C(C)(C)C
InChI	InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)9-12(13(10)16)15(5,6)7/h8-9,16H,1-7H3

InChI Key

ZZZRZBIPCKQDQR-UHFFFAOYSA-N

Smiles

Cc1cc(cc(c1O)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)9-12(13(10)16)15(5,6)7/h8-9,16H,1-7H3

Property Name	Value
Molecular Formula	C15H24O1
Molecular Weight	220.18
AlogP	4.3
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Polar Surface Area	20.23
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C15H24O1

Molecular Weight

220.18

AlogP

4.3

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Polar Surface Area

20.23

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	616-55-7
NORMAN SUSDAT
FDA SRS	87K7BRI932
PubChem	69224
ChemSpider	62437.0

Resources

Reference

CAS NUMBER

616-55-7

NORMAN SUSDAT

FDA SRS

87K7BRI932

PubChem

69224

ChemSpider

62437.0

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

PHENOL, 2,4-BIS(1,1-DIMETHYLETHYL)-6-METHYL-

Structure

Physicochemical Descriptors

Cross References