1-(5-bromofuran-2-yl)-4-methoxy-2-methylbutan-1-one

C10H13BrO3 — CID 115807303

IUPAC1-(5-bromofuran-2-yl)-4-methoxy-2-methylbutan-1-one
SMILESCOCCC(C)C(=O)c1ccc(Br)o1
InChIInChI=1S/C10H13BrO3/c1-7(5-6-13-2)10(12)8-3-4-9(11)14-8/h3-4,7H,5-6H2,1-2H3
InChIKeyKDUODJVZWVITND-UHFFFAOYSA-N
MW261.11 g/mol
LogP2.90
Rot. Bonds5

About 1-(5-bromofuran-2-yl)-4-methoxy-2-methylbutan-1-one

1-(5-bromofuran-2-yl)-4-methoxy-2-methylbutan-1-one (PubChem CID 115807303) has the molecular formula C10H13BrO3 and a molecular weight of 261.11 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-4-methoxy-2-methylbutan-1-one.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-4-methoxy-2-methylbutan-1-one
PubChem CID115807303
Molecular FormulaC10H13BrO3
Molecular Weight261.11 g/mol
Exact Mass260.00
IUPAC Name1-(5-bromofuran-2-yl)-4-methoxy-2-methylbutan-1-one
SMILESCOCCC(C)C(=O)c1ccc(Br)o1
InChIInChI=1S/C10H13BrO3/c1-7(5-6-13-2)10(12)8-3-4-9(11)14-8/h3-4,7H,5-6H2,1-2H3
InChIKeyKDUODJVZWVITND-UHFFFAOYSA-N
XLogP2.90
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(3-methoxy-2-methylpropyl)furan-2-carboxamide
CID 47431973
1-(5-bromofuran-2-yl)-4-methoxybutan-1-one
CID 115815449
5-bromo-N-(2-chloro-3-methoxypropyl)furan-2-carboxamide
CID 114298680
3-(5-bromofuran-2-yl)-2-methyl-3-oxopropanenitrile
CID 43157289
5-bromo-N-(4-hydroxybutan-2-yl)furan-2-carboxamide
CID 81049675
5-bromo-N-(5-methylhexan-2-yl)furan-2-carboxamide
CID 55028916
methyl (2S)-2-[(5-bromofuran-2-carbonyl)amino]propanoate
CID 47337332
5-bromo-N-(4-bromo-2-methylbutyl)furan-2-carboxamide
CID 114316711
tert-butyl N-[1-(5-bromofuran-2-yl)-5-methoxy-1-oxopentan-3-yl]carbamate
CID 104856607
(2R)-2-[(5-bromofuran-2-carbonyl)amino]-4-methylpentanoic acid
CID 30077278
5-bromo-N-(3-hydroxybutyl)-N-methylfuran-2-carboxamide
CID 111695876
5-bromo-N-(3-methyl-2-oxobutyl)furan-2-carboxamide
CID 64997202

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-4-methoxy-2-methylbutan-1-one?
The IUPAC name of 1-(5-bromofuran-2-yl)-4-methoxy-2-methylbutan-1-one (CID 115807303) is 1-(5-bromofuran-2-yl)-4-methoxy-2-methylbutan-1-one.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-4-methoxy-2-methylbutan-1-one?
The canonical SMILES for 1-(5-bromofuran-2-yl)-4-methoxy-2-methylbutan-1-one is COCCC(C)C(=O)c1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-4-methoxy-2-methylbutan-1-one?
The InChIKey is KDUODJVZWVITND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO3/c1-7(5-6-13-2)10(12)8-3-4-9(11)14-8/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 1-(5-bromofuran-2-yl)-4-methoxy-2-methylbutan-1-one?
1-(5-bromofuran-2-yl)-4-methoxy-2-methylbutan-1-one has a molecular weight of 261.11 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-4-methoxy-2-methylbutan-1-one is sourced from PubChem (CID 115807303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).