2-methyl-1-(2,4,6-trimethoxy-3,5-dimethylphenyl)butan-1-one

C16H24O4 — CID 91748026

IUPAC2-methyl-1-(2,4,6-trimethoxy-3,5-dimethylphenyl)butan-1-one
SMILESCCC(C)C(=O)c1c(OC)c(C)c(OC)c(C)c1OC
InChIInChI=1S/C16H24O4/c1-8-9(2)13(17)12-15(19-6)10(3)14(18-5)11(4)16(12)20-7/h9H,8H2,1-7H3
InChIKeyNPBLAHCDLPLESG-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.56
Rot. Bonds6

About 2-methyl-1-(2,4,6-trimethoxy-3,5-dimethylphenyl)butan-1-one

2-methyl-1-(2,4,6-trimethoxy-3,5-dimethylphenyl)butan-1-one (PubChem CID 91748026) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is 2-methyl-1-(2,4,6-trimethoxy-3,5-dimethylphenyl)butan-1-one.

Molecular Properties

Compound Name2-methyl-1-(2,4,6-trimethoxy-3,5-dimethylphenyl)butan-1-one
PubChem CID91748026
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name2-methyl-1-(2,4,6-trimethoxy-3,5-dimethylphenyl)butan-1-one
SMILESCCC(C)C(=O)c1c(OC)c(C)c(OC)c(C)c1OC
InChIInChI=1S/C16H24O4/c1-8-9(2)13(17)12-15(19-6)10(3)14(18-5)11(4)16(12)20-7/h9H,8H2,1-7H3
InChIKeyNPBLAHCDLPLESG-UHFFFAOYSA-N
XLogP3.56
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-2-methylbutan-1-one
CID 86131433
(3-butanoyl-2,6-dihydroxy-4-methoxy-5-methylphenyl) 2,4,6-trihydroxy-3-methyl-5-(2-methylbutanoyl)benzoate
CID 175155273
2-methyl-1-(2,4,6-trimethylphenyl)butan-1-one
CID 43159904
1-(4-methoxyphenyl)-2-methylbutan-1-one
CID 12600283
(2S)-2-methyl-1-[1,3,7,9-tetrahydroxy-4,6-dimethyl-8-(2-methylpropanoyl)dibenzofuran-2-yl]butan-1-one
CID 71451056
1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-one
CID 65313346
(6S)-6-[(3-butanoyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)methyl]-3,5-dihydroxy-4,6-dimethyl-2-(2-methylbutanoyl)cyclohexa-2,4-dien-1-one
CID 5316866
1-(4-bromo-3-methoxyphenyl)-2-methylbutan-1-one
CID 146010926
2-amino-1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)propan-1-one
CID 116915335
3-hydroxy-5-methoxy-2,4,6-trimethylbenzoic acid
CID 146683483
(3,4,5-trimethoxyphenyl) 2-methylbutanoate
CID 91873545
5-methoxy-2,2,10-trimethyl-6-(2-methylbutanoyl)pyrano[2,3-f]chromen-8-one
CID 11824440

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2,4,6-trimethoxy-3,5-dimethylphenyl)butan-1-one?
The IUPAC name of 2-methyl-1-(2,4,6-trimethoxy-3,5-dimethylphenyl)butan-1-one (CID 91748026) is 2-methyl-1-(2,4,6-trimethoxy-3,5-dimethylphenyl)butan-1-one.
What is the SMILES notation for 2-methyl-1-(2,4,6-trimethoxy-3,5-dimethylphenyl)butan-1-one?
The canonical SMILES for 2-methyl-1-(2,4,6-trimethoxy-3,5-dimethylphenyl)butan-1-one is CCC(C)C(=O)c1c(OC)c(C)c(OC)c(C)c1OC.
What is the InChIKey of 2-methyl-1-(2,4,6-trimethoxy-3,5-dimethylphenyl)butan-1-one?
The InChIKey is NPBLAHCDLPLESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4/c1-8-9(2)13(17)12-15(19-6)10(3)14(18-5)11(4)16(12)20-7/h9H,8H2,1-7H3.
What are the key properties of 2-methyl-1-(2,4,6-trimethoxy-3,5-dimethylphenyl)butan-1-one?
2-methyl-1-(2,4,6-trimethoxy-3,5-dimethylphenyl)butan-1-one has a molecular weight of 280.36 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,4,6-trimethoxy-3,5-dimethylphenyl)butan-1-one is sourced from PubChem (CID 91748026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).