4-methoxy-2-methyl-1-(5-methylfuran-3-yl)butan-1-one

C11H16O3 — CID 115807355

IUPAC4-methoxy-2-methyl-1-(5-methylfuran-3-yl)butan-1-one
SMILESCOCCC(C)C(=O)c1coc(C)c1
InChIInChI=1S/C11H16O3/c1-8(4-5-13-3)11(12)10-6-9(2)14-7-10/h6-8H,4-5H2,1-3H3
InChIKeyUONMXAMUGHBKHB-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.44
Rot. Bonds5

About 4-methoxy-2-methyl-1-(5-methylfuran-3-yl)butan-1-one

4-methoxy-2-methyl-1-(5-methylfuran-3-yl)butan-1-one (PubChem CID 115807355) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-methoxy-2-methyl-1-(5-methylfuran-3-yl)butan-1-one.

Molecular Properties

Compound Name4-methoxy-2-methyl-1-(5-methylfuran-3-yl)butan-1-one
PubChem CID115807355
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name4-methoxy-2-methyl-1-(5-methylfuran-3-yl)butan-1-one
SMILESCOCCC(C)C(=O)c1coc(C)c1
InChIInChI=1S/C11H16O3/c1-8(4-5-13-3)11(12)10-6-9(2)14-7-10/h6-8H,4-5H2,1-3H3
InChIKeyUONMXAMUGHBKHB-UHFFFAOYSA-N
XLogP2.44
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromobutan-2-yl)-5-methylfuran-3-carboxamide
CID 114823351
1-(3-bromo-5-chlorophenyl)-4-methoxy-2-methylbutan-1-one
CID 107944782
1-(4-chloro-3-fluorophenyl)-4-methoxy-2-methylbutan-1-one
CID 107996724
1-(4-amino-3-chlorophenyl)-4-methoxy-2-methylbutan-1-one
CID 116581862
4-methoxy-1-(2-methoxy-5-methylphenyl)-2-methylbutan-1-one
CID 115807525
methyl 2-methyl-3-[methyl-(5-methylfuran-3-carbonyl)amino]propanoate
CID 114822109
2-methyl-5-[(5-methylfuran-3-carbonyl)amino]pentanoic acid
CID 114819196
1-(2-amino-5-methoxyphenyl)-4-methoxy-2-methylbutan-1-one
CID 116602601
1-(5-bromofuran-2-yl)-4-methoxy-2-methylbutan-1-one
CID 115807303
1-(2,5-dichlorophenyl)-4-methoxy-2-methylbutan-1-one
CID 115807317
2-hydroxy-6-methoxy-4-methylhexan-3-one
CID 103451528
2-[(5-methylfuran-3-carbonyl)amino]pentanoic acid
CID 114818817

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-1-(5-methylfuran-3-yl)butan-1-one?
The IUPAC name of 4-methoxy-2-methyl-1-(5-methylfuran-3-yl)butan-1-one (CID 115807355) is 4-methoxy-2-methyl-1-(5-methylfuran-3-yl)butan-1-one.
What is the SMILES notation for 4-methoxy-2-methyl-1-(5-methylfuran-3-yl)butan-1-one?
The canonical SMILES for 4-methoxy-2-methyl-1-(5-methylfuran-3-yl)butan-1-one is COCCC(C)C(=O)c1coc(C)c1.
What is the InChIKey of 4-methoxy-2-methyl-1-(5-methylfuran-3-yl)butan-1-one?
The InChIKey is UONMXAMUGHBKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-8(4-5-13-3)11(12)10-6-9(2)14-7-10/h6-8H,4-5H2,1-3H3.
What are the key properties of 4-methoxy-2-methyl-1-(5-methylfuran-3-yl)butan-1-one?
4-methoxy-2-methyl-1-(5-methylfuran-3-yl)butan-1-one has a molecular weight of 196.25 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-1-(5-methylfuran-3-yl)butan-1-one is sourced from PubChem (CID 115807355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).