1-[2-(2,3,3-trimethylbutyl)phenyl]ethanone

C15H22O — CID 164668619

IUPAC1-[2-(2,3,3-trimethylbutyl)phenyl]ethanone
SMILESCC(=O)c1ccccc1CC(C)C(C)(C)C
InChIInChI=1S/C15H22O/c1-11(15(3,4)5)10-13-8-6-7-9-14(13)12(2)16/h6-9,11H,10H2,1-5H3
InChIKeyXBRYFXHMADCFDE-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.11
Rot. Bonds3

About 1-[2-(2,3,3-trimethylbutyl)phenyl]ethanone

1-[2-(2,3,3-trimethylbutyl)phenyl]ethanone (PubChem CID 164668619) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-[2-(2,3,3-trimethylbutyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(2,3,3-trimethylbutyl)phenyl]ethanone
PubChem CID164668619
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name1-[2-(2,3,3-trimethylbutyl)phenyl]ethanone
SMILESCC(=O)c1ccccc1CC(C)C(C)(C)C
InChIInChI=1S/C15H22O/c1-11(15(3,4)5)10-13-8-6-7-9-14(13)12(2)16/h6-9,11H,10H2,1-5H3
InChIKeyXBRYFXHMADCFDE-UHFFFAOYSA-N
XLogP4.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-acetylphenyl)-2-methylpropanenitrile
CID 10750083
N-(2-acetylphenyl)-3,4,4-trimethylpentanamide
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1-[2-(2-methoxy-2-methylpropyl)phenyl]ethanone
CID 117112066
1-[2-(4-hydroxybutyl)phenyl]ethanone
CID 14995224
S-tert-butyl 2-(2-methylpropyl)benzenecarbothioate
CID 126559492
CID 102532713
CID 102532713
1-[2-(2-aminoethyl)phenyl]ethanone;ethane
CID 145089346
1-(2-acetylphenyl)ethanone;methane
CID 158210616
2-[(2R)-2-aminopropyl]benzoic acid
CID 20581914
4,5,5-trimethyl-1-phenylhexan-2-one
CID 63832749
2-(2-methylpropyl)benzenecarboperoxoic acid
CID 87614566
1-[2-(2-hydroxy-2,3-dimethylbutoxy)phenyl]ethanone
CID 114447739

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3,3-trimethylbutyl)phenyl]ethanone?
The IUPAC name of 1-[2-(2,3,3-trimethylbutyl)phenyl]ethanone (CID 164668619) is 1-[2-(2,3,3-trimethylbutyl)phenyl]ethanone.
What is the SMILES notation for 1-[2-(2,3,3-trimethylbutyl)phenyl]ethanone?
The canonical SMILES for 1-[2-(2,3,3-trimethylbutyl)phenyl]ethanone is CC(=O)c1ccccc1CC(C)C(C)(C)C.
What is the InChIKey of 1-[2-(2,3,3-trimethylbutyl)phenyl]ethanone?
The InChIKey is XBRYFXHMADCFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-11(15(3,4)5)10-13-8-6-7-9-14(13)12(2)16/h6-9,11H,10H2,1-5H3.
What are the key properties of 1-[2-(2,3,3-trimethylbutyl)phenyl]ethanone?
1-[2-(2,3,3-trimethylbutyl)phenyl]ethanone has a molecular weight of 218.34 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3,3-trimethylbutyl)phenyl]ethanone is sourced from PubChem (CID 164668619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).