1-(2,4-dimethylphenyl)-2-methoxypentan-1-one

C14H20O2 — CID 116708065

IUPAC1-(2,4-dimethylphenyl)-2-methoxypentan-1-one
SMILESCCCC(OC)C(=O)c1ccc(C)cc1C
InChIInChI=1S/C14H20O2/c1-5-6-13(16-4)14(15)12-8-7-10(2)9-11(12)3/h7-9,13H,5-6H2,1-4H3
InChIKeyJYHHMEAJOIBGBP-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.30
Rot. Bonds5

About 1-(2,4-dimethylphenyl)-2-methoxypentan-1-one

1-(2,4-dimethylphenyl)-2-methoxypentan-1-one (PubChem CID 116708065) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-methoxypentan-1-one.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-methoxypentan-1-one
PubChem CID116708065
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name1-(2,4-dimethylphenyl)-2-methoxypentan-1-one
SMILESCCCC(OC)C(=O)c1ccc(C)cc1C
InChIInChI=1S/C14H20O2/c1-5-6-13(16-4)14(15)12-8-7-10(2)9-11(12)3/h7-9,13H,5-6H2,1-4H3
InChIKeyJYHHMEAJOIBGBP-UHFFFAOYSA-N
XLogP3.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-1-(2-methoxy-5-methylphenyl)pentan-1-one
CID 116708118
2-methoxy-1-(2,4,5-trimethylphenyl)pentan-1-one
CID 116708167
1-(2-fluoro-5-methylphenyl)-2-methoxypentan-1-one
CID 116708023
1-(2-chloro-5-fluorophenyl)-2-methoxypentan-1-one
CID 105394391
(2R)-2-bromo-1-(2,4-dimethylphenyl)butan-1-one
CID 94723808
1-(2-fluorophenyl)-2-methoxypentan-1-one
CID 116708127
2-ethoxy-1-[2-methyl-4-(trifluoromethyl)phenyl]pentan-1-one
CID 102752803
2-(2-aminophenoxy)-1-(2,4-dimethylphenyl)butan-1-one
CID 46307359
2-methoxy-1-(2,4,5-trimethylphenyl)butan-1-one
CID 116707254
1-(2-ethoxyphenyl)-2-methoxypentan-1-one
CID 116708029
2-methoxy-1-[2-(trifluoromethyl)phenyl]pentan-1-one
CID 116708193
1-(2-hydroxy-4-methylphenyl)-2-propylpentan-1-one
CID 15072612

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-methoxypentan-1-one?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-methoxypentan-1-one (CID 116708065) is 1-(2,4-dimethylphenyl)-2-methoxypentan-1-one.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-methoxypentan-1-one?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-methoxypentan-1-one is CCCC(OC)C(=O)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-methoxypentan-1-one?
The InChIKey is JYHHMEAJOIBGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-5-6-13(16-4)14(15)12-8-7-10(2)9-11(12)3/h7-9,13H,5-6H2,1-4H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-methoxypentan-1-one?
1-(2,4-dimethylphenyl)-2-methoxypentan-1-one has a molecular weight of 220.31 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-methoxypentan-1-one is sourced from PubChem (CID 116708065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).