5-(4-ethoxy-2,3,6-trimethylphenyl)pentan-2-one

C16H24O2 — CID 83939411

IUPAC5-(4-ethoxy-2,3,6-trimethylphenyl)pentan-2-one
SMILESCCOc1cc(C)c(CCCC(C)=O)c(C)c1C
InChIInChI=1S/C16H24O2/c1-6-18-16-10-11(2)15(13(4)14(16)5)9-7-8-12(3)17/h10H,6-9H2,1-5H3
InChIKeyMRPJHGOEXAGFEM-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.92
Rot. Bonds6

About 5-(4-ethoxy-2,3,6-trimethylphenyl)pentan-2-one

5-(4-ethoxy-2,3,6-trimethylphenyl)pentan-2-one (PubChem CID 83939411) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 5-(4-ethoxy-2,3,6-trimethylphenyl)pentan-2-one.

Molecular Properties

Compound Name5-(4-ethoxy-2,3,6-trimethylphenyl)pentan-2-one
PubChem CID83939411
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name5-(4-ethoxy-2,3,6-trimethylphenyl)pentan-2-one
SMILESCCOc1cc(C)c(CCCC(C)=O)c(C)c1C
InChIInChI=1S/C16H24O2/c1-6-18-16-10-11(2)15(13(4)14(16)5)9-7-8-12(3)17/h10H,6-9H2,1-5H3
InChIKeyMRPJHGOEXAGFEM-UHFFFAOYSA-N
XLogP3.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-ethoxy-2,3,6-trimethylphenyl)pentane-2,3-diol
CID 83939528
5-(3-chloro-2,5-dimethyl-6-propoxyphenyl)pentan-2-one
CID 83940685
5-(2,4-dimethoxy-6-methylphenyl)pentan-2-one
CID 116927802
5-[6-hydroxy-2-methoxy-4-(methoxymethoxy)-3-methylphenyl]pentan-2-one
CID 175146584
ethyl 4-(4-ethoxy-2,5-dimethylphenyl)butanoate
CID 82350381
4-[2-(4-ethoxy-2,3,6-trimethylphenyl)ethyl]-1-methyltriazole
CID 112719321
4-[2-(4-ethoxy-3-methylphenyl)ethylamino]butan-2-one
CID 115235921
5-(2,3,6-trimethyl-4-propoxyphenyl)pentan-2-amine
CID 83939600
methyl 4-(4-ethoxy-2,3,6-trimethylphenyl)-4-oxobutanoate
CID 82552629
6-(5-chloro-2-ethoxy-3,6-dimethylphenyl)-2-methylhexan-3-one
CID 83940616
5-(3,5-dimethyl-2-propoxyphenyl)pentan-2-one
CID 83942149
6-(2-methoxy-4,5-dimethylphenyl)hexan-2-one
CID 98014751

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxy-2,3,6-trimethylphenyl)pentan-2-one?
The IUPAC name of 5-(4-ethoxy-2,3,6-trimethylphenyl)pentan-2-one (CID 83939411) is 5-(4-ethoxy-2,3,6-trimethylphenyl)pentan-2-one.
What is the SMILES notation for 5-(4-ethoxy-2,3,6-trimethylphenyl)pentan-2-one?
The canonical SMILES for 5-(4-ethoxy-2,3,6-trimethylphenyl)pentan-2-one is CCOc1cc(C)c(CCCC(C)=O)c(C)c1C.
What is the InChIKey of 5-(4-ethoxy-2,3,6-trimethylphenyl)pentan-2-one?
The InChIKey is MRPJHGOEXAGFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-6-18-16-10-11(2)15(13(4)14(16)5)9-7-8-12(3)17/h10H,6-9H2,1-5H3.
What are the key properties of 5-(4-ethoxy-2,3,6-trimethylphenyl)pentan-2-one?
5-(4-ethoxy-2,3,6-trimethylphenyl)pentan-2-one has a molecular weight of 248.37 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxy-2,3,6-trimethylphenyl)pentan-2-one is sourced from PubChem (CID 83939411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).