2-methoxy-3,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-one

C16H24O2 — CID 116709656

IUPAC2-methoxy-3,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-one
SMILESCOC(C(=O)c1cc(C)c(C)cc1C)C(C)(C)C
InChIInChI=1S/C16H24O2/c1-10-8-12(3)13(9-11(10)2)14(17)15(18-7)16(4,5)6/h8-9,15H,1-7H3
InChIKeyIXXSVGRGWIBPFP-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.86
Rot. Bonds3

About 2-methoxy-3,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-one

2-methoxy-3,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-one (PubChem CID 116709656) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-methoxy-3,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-one.

Molecular Properties

Compound Name2-methoxy-3,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-one
PubChem CID116709656
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name2-methoxy-3,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-one
SMILESCOC(C(=O)c1cc(C)c(C)cc1C)C(C)(C)C
InChIInChI=1S/C16H24O2/c1-10-8-12(3)13(9-11(10)2)14(17)15(18-7)16(4,5)6/h8-9,15H,1-7H3
InChIKeyIXXSVGRGWIBPFP-UHFFFAOYSA-N
XLogP3.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methoxy-3,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-1-(2-methoxy-5-methylphenyl)-3,3-dimethylbutan-1-one
CID 116709606
2-methoxy-1-(2,4,5-trimethylphenyl)butan-1-one
CID 116707254
2,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-one
CID 114975790
1-(3-chloro-4-methylphenyl)-2-methoxy-3,3-dimethylbutan-1-one
CID 107559952
1-(2-amino-5-methyl-3-pyridinyl)-2-methoxy-3,3-dimethylbutan-1-one
CID 116709569
2-(hydroxymethyl)-3-methyl-1-(2,4,5-trimethylphenyl)butan-1-one
CID 116923314
2-methoxy-1-(2,4,5-trimethylphenyl)pentan-1-one
CID 116708167
2-methoxy-3,3-dimethyl-1-[2-(trifluoromethoxy)phenyl]butan-1-one
CID 116709655
2-methyl-3-oxo-3-(2,4,5-trimethylphenyl)propanoic acid
CID 116918219
(2,6-dimethoxyphenyl)-(2,4,5-trimethylphenyl)methanone
CID 112698836
2-ethoxy-2-methyl-1-(2,4,5-trimethylphenyl)propan-1-one
CID 116710232
2-methoxy-1-(4-methoxy-2,5-dimethylphenyl)-2-phenylethanone
CID 116751452

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-one?
The IUPAC name of 2-methoxy-3,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-one (CID 116709656) is 2-methoxy-3,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-one.
What is the SMILES notation for 2-methoxy-3,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-one?
The canonical SMILES for 2-methoxy-3,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-one is COC(C(=O)c1cc(C)c(C)cc1C)C(C)(C)C.
What is the InChIKey of 2-methoxy-3,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-one?
The InChIKey is IXXSVGRGWIBPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-10-8-12(3)13(9-11(10)2)14(17)15(18-7)16(4,5)6/h8-9,15H,1-7H3.
What are the key properties of 2-methoxy-3,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-one?
2-methoxy-3,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-one has a molecular weight of 248.37 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-one is sourced from PubChem (CID 116709656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).