1-(2,3-ditert-butyl-6-hydroxyphenyl)ethanone

C16H24O2 — CID 22556354

IUPAC1-(2,3-ditert-butyl-6-hydroxyphenyl)ethanone
SMILESCC(=O)c1c(O)ccc(C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/C16H24O2/c1-10(17)13-12(18)9-8-11(15(2,3)4)14(13)16(5,6)7/h8-9,18H,1-7H3
InChIKeyXWJWWLUSSUESGZ-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.19
Rot. Bonds1

About 1-(2,3-ditert-butyl-6-hydroxyphenyl)ethanone

1-(2,3-ditert-butyl-6-hydroxyphenyl)ethanone (PubChem CID 22556354) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(2,3-ditert-butyl-6-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2,3-ditert-butyl-6-hydroxyphenyl)ethanone
PubChem CID22556354
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-(2,3-ditert-butyl-6-hydroxyphenyl)ethanone
SMILESCC(=O)c1c(O)ccc(C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/C16H24O2/c1-10(17)13-12(18)9-8-11(15(2,3)4)14(13)16(5,6)7/h8-9,18H,1-7H3
InChIKeyXWJWWLUSSUESGZ-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-(2,3-ditert-butyl-6-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

3-tert-butyl-6-hydroxy-2-methylbenzoic acid
CID 154313774
3-[2-(2,3-dicarboxy-4-hydroxyphenyl)propan-2-yl]-6-hydroxyphthalic acid
CID 129303917
1-[3-hydroxy-2-iodo-6-(trifluoromethyl)phenyl]ethanone
CID 171025509
1-(3,6-dihydroxy-2-propan-2-ylphenyl)ethanone
CID 101273343
2,3-ditert-butyl-6-sulfanylphenol
CID 19391852
1-[2-[chloro(difluoro)methyl]-6-hydroxyphenyl]ethanone
CID 135039200
1,2,4-tritert-butyl-3-methylbenzene
CID 140854295
bis(3-tert-butyl-4-hydroxyphenyl)methanone
CID 57066598
2,3-diacetyl-4-hydroxybenzamide
CID 174459888
1-(2-hydroxy-6-propan-2-ylphenyl)ethanone
CID 130031479
4-tert-butyl-3-methylbenzene-1,2-diol
CID 21136547
1-(2-bromo-6-hydroxyphenyl)ethanone
CID 53407096

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-ditert-butyl-6-hydroxyphenyl)ethanone?
The IUPAC name of 1-(2,3-ditert-butyl-6-hydroxyphenyl)ethanone (CID 22556354) is 1-(2,3-ditert-butyl-6-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-(2,3-ditert-butyl-6-hydroxyphenyl)ethanone?
The canonical SMILES for 1-(2,3-ditert-butyl-6-hydroxyphenyl)ethanone is CC(=O)c1c(O)ccc(C(C)(C)C)c1C(C)(C)C.
What is the InChIKey of 1-(2,3-ditert-butyl-6-hydroxyphenyl)ethanone?
The InChIKey is XWJWWLUSSUESGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-10(17)13-12(18)9-8-11(15(2,3)4)14(13)16(5,6)7/h8-9,18H,1-7H3.
What are the key properties of 1-(2,3-ditert-butyl-6-hydroxyphenyl)ethanone?
1-(2,3-ditert-butyl-6-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-(2,3-ditert-butyl-6-hydroxyphenyl)ethanone is sourced from PubChem (CID 22556354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).