1-(3-acetyl-5-tert-butyl-2-hydroxyphenyl)ethanone

C14H18O3 — CID 71295421

IUPAC1-(3-acetyl-5-tert-butyl-2-hydroxyphenyl)ethanone
SMILESCC(=O)c1cc(C(C)(C)C)cc(C(C)=O)c1O
InChIInChI=1S/C14H18O3/c1-8(15)11-6-10(14(3,4)5)7-12(9(2)16)13(11)17/h6-7,17H,1-5H3
InChIKeyFNRQWKNQJJMOLI-UHFFFAOYSA-N
MW234.29 g/mol
LogP3.09
Rot. Bonds2

About 1-(3-acetyl-5-tert-butyl-2-hydroxyphenyl)ethanone

1-(3-acetyl-5-tert-butyl-2-hydroxyphenyl)ethanone (PubChem CID 71295421) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 1-(3-acetyl-5-tert-butyl-2-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3-acetyl-5-tert-butyl-2-hydroxyphenyl)ethanone
PubChem CID71295421
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name1-(3-acetyl-5-tert-butyl-2-hydroxyphenyl)ethanone
SMILESCC(=O)c1cc(C(C)(C)C)cc(C(C)=O)c1O
InChIInChI=1S/C14H18O3/c1-8(15)11-6-10(14(3,4)5)7-12(9(2)16)13(11)17/h6-7,17H,1-5H3
InChIKeyFNRQWKNQJJMOLI-UHFFFAOYSA-N
XLogP3.09
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl 5-tert-butyl-2-hydroxybenzene-1,3-dicarboxylate
CID 170871811
1-N,3-N,5-tritert-butyl-2-hydroxybenzene-1,3-dicarboxamide
CID 11397419
1-[3-fluoro-2-hydroxy-5-(trifluoromethyl)phenyl]ethanone
CID 171021413
1-(2-amino-5-tert-butylphenyl)ethanone
CID 83988010
1-[3-(difluoromethyl)-2-hydroxy-5-(trifluoromethyl)phenyl]ethanone
CID 171032603
3,5-ditert-butyl-2-hydroxybenzoic acid;hafnium
CID 88921612
tris(3,5-ditert-butyl-2-hydroxybenzoic acid);iron
CID 164898882
1-(3-acetyl-2-hydroxy-5-methylphenyl)ethanone;dichloromethane
CID 159502600
3-acetyl-2-hydroxy-5-methylbenzoyl chloride
CID 119092353
1-(4-tert-butyl-2-methylphenyl)ethanone;methane
CID 161237791
1-(2,3,4-trihydroxy-5-methylphenyl)ethanone
CID 56838439
1-(2,3-dihydroxy-4,5-dimethylphenyl)ethanone
CID 117278320

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetyl-5-tert-butyl-2-hydroxyphenyl)ethanone?
The IUPAC name of 1-(3-acetyl-5-tert-butyl-2-hydroxyphenyl)ethanone (CID 71295421) is 1-(3-acetyl-5-tert-butyl-2-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-(3-acetyl-5-tert-butyl-2-hydroxyphenyl)ethanone?
The canonical SMILES for 1-(3-acetyl-5-tert-butyl-2-hydroxyphenyl)ethanone is CC(=O)c1cc(C(C)(C)C)cc(C(C)=O)c1O.
What is the InChIKey of 1-(3-acetyl-5-tert-butyl-2-hydroxyphenyl)ethanone?
The InChIKey is FNRQWKNQJJMOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-8(15)11-6-10(14(3,4)5)7-12(9(2)16)13(11)17/h6-7,17H,1-5H3.
What are the key properties of 1-(3-acetyl-5-tert-butyl-2-hydroxyphenyl)ethanone?
1-(3-acetyl-5-tert-butyl-2-hydroxyphenyl)ethanone has a molecular weight of 234.29 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetyl-5-tert-butyl-2-hydroxyphenyl)ethanone is sourced from PubChem (CID 71295421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).