1-(4-ethylphenyl)-3,4-dimethylpentan-2-one

C15H22O — CID 114963410

IUPAC1-(4-ethylphenyl)-3,4-dimethylpentan-2-one
SMILESCCc1ccc(CC(=O)C(C)C(C)C)cc1
InChIInChI=1S/C15H22O/c1-5-13-6-8-14(9-7-13)10-15(16)12(4)11(2)3/h6-9,11-12H,5,10H2,1-4H3
InChIKeyZBEWENVIAPPXQO-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.65
Rot. Bonds5

About 1-(4-ethylphenyl)-3,4-dimethylpentan-2-one

1-(4-ethylphenyl)-3,4-dimethylpentan-2-one (PubChem CID 114963410) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3,4-dimethylpentan-2-one.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3,4-dimethylpentan-2-one
PubChem CID114963410
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name1-(4-ethylphenyl)-3,4-dimethylpentan-2-one
SMILESCCc1ccc(CC(=O)C(C)C(C)C)cc1
InChIInChI=1S/C15H22O/c1-5-13-6-8-14(9-7-13)10-15(16)12(4)11(2)3/h6-9,11-12H,5,10H2,1-4H3
InChIKeyZBEWENVIAPPXQO-UHFFFAOYSA-N
XLogP3.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethoxy-1-(4-ethylphenyl)-4-methylpentan-2-one
CID 116708620
2-(4-ethylphenyl)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 99626723
4-amino-3-methyl-1-(4-methylphenyl)pentan-2-one
CID 116612281
1-(4-ethylphenyl)butane-2,3-dione
CID 83697691
2-(4-ethylphenyl)-N-methylacetamide
CID 56921087
1-(4-ethylphenyl)-3-hydroxypropan-2-one
CID 82280636
ethane;3-methyl-1-[4-(2-oxopropyl)phenyl]butan-2-one
CID 162736960
1-(4-ethylphenyl)-3-(4-methylphenyl)propan-2-one
CID 55061865
3-hydroxy-1-(4-hydroxyphenyl)butan-2-one
CID 66599101
1,4-diethylbenzene;ethane;methane
CID 166131756
2-(4-ethylphenyl)-N-[2-(methylamino)propyl]acetamide
CID 120832655
3-methyl-1-[4-(2-methylpropanoyl)phenyl]butan-2-one
CID 135216998

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3,4-dimethylpentan-2-one?
The IUPAC name of 1-(4-ethylphenyl)-3,4-dimethylpentan-2-one (CID 114963410) is 1-(4-ethylphenyl)-3,4-dimethylpentan-2-one.
What is the SMILES notation for 1-(4-ethylphenyl)-3,4-dimethylpentan-2-one?
The canonical SMILES for 1-(4-ethylphenyl)-3,4-dimethylpentan-2-one is CCc1ccc(CC(=O)C(C)C(C)C)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3,4-dimethylpentan-2-one?
The InChIKey is ZBEWENVIAPPXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-5-13-6-8-14(9-7-13)10-15(16)12(4)11(2)3/h6-9,11-12H,5,10H2,1-4H3.
What are the key properties of 1-(4-ethylphenyl)-3,4-dimethylpentan-2-one?
1-(4-ethylphenyl)-3,4-dimethylpentan-2-one has a molecular weight of 218.34 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3,4-dimethylpentan-2-one is sourced from PubChem (CID 114963410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).