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

C15H22O2 — CID 116708167

IUPAC2-methoxy-1-(2,4,5-trimethylphenyl)pentan-1-one
SMILESCCCC(OC)C(=O)c1cc(C)c(C)cc1C
InChIInChI=1S/C15H22O2/c1-6-7-14(17-5)15(16)13-9-11(3)10(2)8-12(13)4/h8-9,14H,6-7H2,1-5H3
InChIKeyMCSMITLGNWJSIM-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.61
Rot. Bonds5

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

2-methoxy-1-(2,4,5-trimethylphenyl)pentan-1-one (PubChem CID 116708167) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-methoxy-1-(2,4,5-trimethylphenyl)pentan-1-one.

Molecular Properties

Compound Name2-methoxy-1-(2,4,5-trimethylphenyl)pentan-1-one
PubChem CID116708167
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2-methoxy-1-(2,4,5-trimethylphenyl)pentan-1-one
SMILESCCCC(OC)C(=O)c1cc(C)c(C)cc1C
InChIInChI=1S/C15H22O2/c1-6-7-14(17-5)15(16)13-9-11(3)10(2)8-12(13)4/h8-9,14H,6-7H2,1-5H3
InChIKeyMCSMITLGNWJSIM-UHFFFAOYSA-N
XLogP3.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-1-(2,4,5-trimethylphenyl)butan-1-one
CID 116707254
1-(2,4-dimethylphenyl)-2-methoxypentan-1-one
CID 116708065
2-methoxy-1-(2-methoxy-5-methylphenyl)pentan-1-one
CID 116708118
1-(4-methoxy-2,5-dimethylphenyl)-2-propylpentan-1-one
CID 115797809
1-(2-fluoro-5-methylphenyl)-2-methoxypentan-1-one
CID 116708023
1-(2-chloro-5-fluorophenyl)-2-methoxypentan-1-one
CID 105394391
1-(2-fluorophenyl)-2-methoxypentan-1-one
CID 116708127
1-(4,5-dimethoxy-2-methylphenyl)-2-methylpentan-1-one
CID 43626575
1-(2-ethoxyphenyl)-2-methoxypentan-1-one
CID 116708029
2-methoxy-3,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-one
CID 116709656
2-methoxy-1-[2-(trifluoromethyl)phenyl]pentan-1-one
CID 116708193
2,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-one
CID 114975790

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(2,4,5-trimethylphenyl)pentan-1-one?
The IUPAC name of 2-methoxy-1-(2,4,5-trimethylphenyl)pentan-1-one (CID 116708167) is 2-methoxy-1-(2,4,5-trimethylphenyl)pentan-1-one.
What is the SMILES notation for 2-methoxy-1-(2,4,5-trimethylphenyl)pentan-1-one?
The canonical SMILES for 2-methoxy-1-(2,4,5-trimethylphenyl)pentan-1-one is CCCC(OC)C(=O)c1cc(C)c(C)cc1C.
What is the InChIKey of 2-methoxy-1-(2,4,5-trimethylphenyl)pentan-1-one?
The InChIKey is MCSMITLGNWJSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-6-7-14(17-5)15(16)13-9-11(3)10(2)8-12(13)4/h8-9,14H,6-7H2,1-5H3.
What are the key properties of 2-methoxy-1-(2,4,5-trimethylphenyl)pentan-1-one?
2-methoxy-1-(2,4,5-trimethylphenyl)pentan-1-one has a molecular weight of 234.34 g/mol, XLogP of 3.61, 5 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)pentan-1-one is sourced from PubChem (CID 116708167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).