1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone

C16H24O2 — CID 616296

IUPAC1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone
SMILESCC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C16H24O2/c1-10(17)11-8-12(15(2,3)4)14(18)13(9-11)16(5,6)7/h8-9,18H,1-7H3
InChIKeyWGJPGMJLARWHRK-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.19
Rot. Bonds1

About 1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone

1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone (PubChem CID 616296) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone
PubChem CID616296
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone
SMILESCC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C16H24O2/c1-10(17)11-8-12(15(2,3)4)14(18)13(9-11)16(5,6)7/h8-9,18H,1-7H3
InChIKeyWGJPGMJLARWHRK-UHFFFAOYSA-N
XLogP4.19
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,5-ditert-butyl-4-methylphenyl)ethanone
CID 71103075
CID 153384878
CID 153384878
lithium 3,5-ditert-butyl-4-hydroxybenzoate
CID 139788661
1-[3-[2-(2-acetyl-4-chloro-6-hydroxyphenyl)propan-2-yl]-5-tert-butyl-4-hydroxyphenyl]ethanone
CID 89085592
2-chloro-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone
CID 14210977
2,6-ditert-butyl-4-(1-hydroxyethenyl)phenol
CID 143396007
1,8-bis(3,5-ditert-butyl-4-hydroxyphenyl)octane-1,8-dione
CID 74763904
S-(3,5-ditert-butyl-4-hydroxyphenyl) 3,5-ditert-butyl-4-hydroxybenzenecarbothioate
CID 57066094
(3,5-ditert-butyl-4-hydroxyphenyl)-(2,4,6-trimethylphenyl)methanone
CID 25142145
1-(3,5-ditert-butyl-4-hydroxyphenyl)propan-2-one
CID 20708554
3,5-ditert-butyl-N',4-dihydroxybenzenecarboximidamide
CID 135699520
2,6-ditert-butyl-4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol;hydrochloride
CID 175666737

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone?
The IUPAC name of 1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone (CID 616296) is 1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone?
The canonical SMILES for 1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone is CC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone?
The InChIKey is WGJPGMJLARWHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-10(17)11-8-12(15(2,3)4)14(18)13(9-11)16(5,6)7/h8-9,18H,1-7H3.
What are the key properties of 1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone?
1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone has a molecular weight of 248.37 g/mol, XLogP of 4.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone is sourced from PubChem (CID 616296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).