BUTYLATED HYDROXYTOLUENE


Synonyms	2,6-di-tert-butyl-p-cresol 2,6-ditertiary-butyl-p-cresol BHT Butylated hydroxytoluene Butylated hydroxytoluene (e 321) Butylhydroxytoluene Butylhydroxytoluenum E-321 E321 FEMA NO. 2184 INS NO.321 INS-321 Kerabit NSC-6347
Status
Molecule Category	Free-form
UNII	1P9D0Z171K
EPA CompTox	DTXSID2020216


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

Property Name	Value
Molecular Formula	C15H24O
Molecular Weight	220.36
AlogP	4.3
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Polar Surface Area	20.23
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	16.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Lyase	-	-	-	630	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	-	-	630	-
Rattus norvegicus	-	900	-	-	21-97

Header

Compound Name

Maximum Phase

Compound Structure

Smile

Inchi

InchiKey

Compound Properties

Molecular Formula

Molecular Weight

ALogP

PSA

Resources	Reference
ChEBI	34247
ChEMBL	CHEMBL146
FDA SRS	1P9D0Z171K
Human Metabolome Database	HMDB0033826
KEGG	C14693
PubChem	31404
SureChEMBL	SCHEMBL3950
ZINC	ZINC000001481993

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

BUTYLATED HYDROXYTOLUENE

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Physicochemical Descriptors

Pharmacology

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