5-(2,5-diethylphenyl)-4-methylpentan-2-one

C16H24O — CID 83920938

IUPAC5-(2,5-diethylphenyl)-4-methylpentan-2-one
SMILESCCc1ccc(CC)c(CC(C)CC(C)=O)c1
InChIInChI=1S/C16H24O/c1-5-14-7-8-15(6-2)16(11-14)10-12(3)9-13(4)17/h7-8,11-12H,5-6,9-10H2,1-4H3
InChIKeyLAMINWMBBRVQGE-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.97
Rot. Bonds6

About 5-(2,5-diethylphenyl)-4-methylpentan-2-one

5-(2,5-diethylphenyl)-4-methylpentan-2-one (PubChem CID 83920938) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 5-(2,5-diethylphenyl)-4-methylpentan-2-one.

Molecular Properties

Compound Name5-(2,5-diethylphenyl)-4-methylpentan-2-one
PubChem CID83920938
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name5-(2,5-diethylphenyl)-4-methylpentan-2-one
SMILESCCc1ccc(CC)c(CC(C)CC(C)=O)c1
InChIInChI=1S/C16H24O/c1-5-14-7-8-15(6-2)16(11-14)10-12(3)9-13(4)17/h7-8,11-12H,5-6,9-10H2,1-4H3
InChIKeyLAMINWMBBRVQGE-UHFFFAOYSA-N
XLogP3.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-one
CID 83942693
5-(5-tert-butyl-2-ethylphenyl)-4-methylpentan-2-one
CID 83927567
5-(2-bromo-4-methylphenyl)-4-methylpentan-2-one
CID 83924454
5-(4-bromophenyl)-4-methylpentan-2-one
CID 64718506
1,4-diethyl-2-(2-methylpent-3-ynyl)benzene
CID 83920969
1-(2-ethoxy-5-ethylphenyl)-2-methylheptan-4-one
CID 83942574
5-(3,4-diethoxyphenyl)-4-methylpentan-2-one
CID 83923565
1,4-diethyl-2-(2-methylhex-3-ynyl)benzene
CID 83920970
5-(4-hydroxy-3-methylphenyl)-4-methylpentan-2-one
CID 83922980
5-(3,4-dipropoxyphenyl)-4-methylpentan-2-one
CID 83931996
5-(3,5-dichlorophenyl)-4-methylpentan-2-one
CID 83924807
1-(5-ethyl-2-fluorophenyl)propan-2-one
CID 117278354

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-diethylphenyl)-4-methylpentan-2-one?
The IUPAC name of 5-(2,5-diethylphenyl)-4-methylpentan-2-one (CID 83920938) is 5-(2,5-diethylphenyl)-4-methylpentan-2-one.
What is the SMILES notation for 5-(2,5-diethylphenyl)-4-methylpentan-2-one?
The canonical SMILES for 5-(2,5-diethylphenyl)-4-methylpentan-2-one is CCc1ccc(CC)c(CC(C)CC(C)=O)c1.
What is the InChIKey of 5-(2,5-diethylphenyl)-4-methylpentan-2-one?
The InChIKey is LAMINWMBBRVQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-5-14-7-8-15(6-2)16(11-14)10-12(3)9-13(4)17/h7-8,11-12H,5-6,9-10H2,1-4H3.
What are the key properties of 5-(2,5-diethylphenyl)-4-methylpentan-2-one?
5-(2,5-diethylphenyl)-4-methylpentan-2-one has a molecular weight of 232.37 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-diethylphenyl)-4-methylpentan-2-one is sourced from PubChem (CID 83920938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).