2-methoxy-1-(2,4,5-trimethylphenyl)butan-1-one

C14H20O2 — CID 116707254

IUPAC2-methoxy-1-(2,4,5-trimethylphenyl)butan-1-one
SMILESCCC(OC)C(=O)c1cc(C)c(C)cc1C
InChIInChI=1S/C14H20O2/c1-6-13(16-5)14(15)12-8-10(3)9(2)7-11(12)4/h7-8,13H,6H2,1-5H3
InChIKeyJOLSXTDUEMZXQJ-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.22
Rot. Bonds4

About 2-methoxy-1-(2,4,5-trimethylphenyl)butan-1-one

2-methoxy-1-(2,4,5-trimethylphenyl)butan-1-one (PubChem CID 116707254) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-methoxy-1-(2,4,5-trimethylphenyl)butan-1-one.

Molecular Properties

Compound Name2-methoxy-1-(2,4,5-trimethylphenyl)butan-1-one
PubChem CID116707254
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-methoxy-1-(2,4,5-trimethylphenyl)butan-1-one
SMILESCCC(OC)C(=O)c1cc(C)c(C)cc1C
InChIInChI=1S/C14H20O2/c1-6-13(16-5)14(15)12-8-10(3)9(2)7-11(12)4/h7-8,13H,6H2,1-5H3
InChIKeyJOLSXTDUEMZXQJ-UHFFFAOYSA-N
XLogP3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-1-(2,4,5-trimethylphenyl)pentan-1-one
CID 116708167
2-methoxy-3,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-one
CID 116709656
1-(2,4-dimethylphenyl)-2-methoxypentan-1-one
CID 116708065
2,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-one
CID 114975790
2-(ethylamino)-1-(4-methoxy-2,5-dimethylphenyl)butan-1-one
CID 112512495
1-(4-methoxy-2,5-dimethylphenyl)-2-propylpentan-1-one
CID 115797809
2-methyl-3-oxo-3-(2,4,5-trimethylphenyl)propanoic acid
CID 116918219
2-(hydroxymethyl)-3-methyl-1-(2,4,5-trimethylphenyl)butan-1-one
CID 116923314
1-(3-bromo-2,4-dimethoxyphenyl)-2-methoxybutan-1-one
CID 103523128
1-(4-fluoro-2-methylphenyl)-3-methoxypentan-2-one
CID 114347367
2-methoxy-1-(2-methoxy-5-methylphenyl)pentan-1-one
CID 116708118
1-(2,4,5-trimethylphenyl)butan-1-one
CID 55269935

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(2,4,5-trimethylphenyl)butan-1-one?
The IUPAC name of 2-methoxy-1-(2,4,5-trimethylphenyl)butan-1-one (CID 116707254) is 2-methoxy-1-(2,4,5-trimethylphenyl)butan-1-one.
What is the SMILES notation for 2-methoxy-1-(2,4,5-trimethylphenyl)butan-1-one?
The canonical SMILES for 2-methoxy-1-(2,4,5-trimethylphenyl)butan-1-one is CCC(OC)C(=O)c1cc(C)c(C)cc1C.
What is the InChIKey of 2-methoxy-1-(2,4,5-trimethylphenyl)butan-1-one?
The InChIKey is JOLSXTDUEMZXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-6-13(16-5)14(15)12-8-10(3)9(2)7-11(12)4/h7-8,13H,6H2,1-5H3.
What are the key properties of 2-methoxy-1-(2,4,5-trimethylphenyl)butan-1-one?
2-methoxy-1-(2,4,5-trimethylphenyl)butan-1-one has a molecular weight of 220.31 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(2,4,5-trimethylphenyl)butan-1-one is sourced from PubChem (CID 116707254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).