1-(2-bromofuran-3-yl)decan-1-one

C14H21BrO2 — CID 106856594

IUPAC1-(2-bromofuran-3-yl)decan-1-one
SMILESCCCCCCCCCC(=O)c1ccoc1Br
InChIInChI=1S/C14H21BrO2/c1-2-3-4-5-6-7-8-9-13(16)12-10-11-17-14(12)15/h10-11H,2-9H2,1H3
InChIKeyHQZKSLIQDWPESD-UHFFFAOYSA-N
MW301.22 g/mol
LogP5.37
Rot. Bonds9

About 1-(2-bromofuran-3-yl)decan-1-one

1-(2-bromofuran-3-yl)decan-1-one (PubChem CID 106856594) has the molecular formula C14H21BrO2 and a molecular weight of 301.22 g/mol. Its IUPAC name is 1-(2-bromofuran-3-yl)decan-1-one.

Molecular Properties

Compound Name1-(2-bromofuran-3-yl)decan-1-one
PubChem CID106856594
Molecular FormulaC14H21BrO2
Molecular Weight301.22 g/mol
Exact Mass300.07
IUPAC Name1-(2-bromofuran-3-yl)decan-1-one
SMILESCCCCCCCCCC(=O)c1ccoc1Br
InChIInChI=1S/C14H21BrO2/c1-2-3-4-5-6-7-8-9-13(16)12-10-11-17-14(12)15/h10-11H,2-9H2,1H3
InChIKeyHQZKSLIQDWPESD-UHFFFAOYSA-N
XLogP5.37
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.22
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-methylfuran-3-yl)tridecan-1-one
CID 104789237
1-(2-hydroxy-3-octanoylphenyl)octan-1-one
CID 23530125
1-(3-methylfuran-2-yl)decan-1-one
CID 104799396
1-(2-bromofuran-3-yl)-3-methylbutan-1-one
CID 106856556
1-[5-bromo-2-(4-bromo-2-undecanoylphenyl)phenyl]undecan-1-one
CID 69436336
1-(5-dodecanoyl-2,4-dihydroxyphenyl)dodecan-1-one
CID 44588789
1-(2-aminophenyl)pentadecan-1-one
CID 101449964
1-(2-aminophenyl)octan-1-one
CID 64829239
1-(furan-2-yl)undecan-1-one
CID 15721327
1-(3-bromo-2-methylphenyl)undecan-1-one
CID 114968918
1-(2-bromo-4-methylphenyl)heptan-1-one
CID 114966698
1-(5-bromo-2-methylphenyl)decan-1-one
CID 114966443

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromofuran-3-yl)decan-1-one?
The IUPAC name of 1-(2-bromofuran-3-yl)decan-1-one (CID 106856594) is 1-(2-bromofuran-3-yl)decan-1-one.
What is the SMILES notation for 1-(2-bromofuran-3-yl)decan-1-one?
The canonical SMILES for 1-(2-bromofuran-3-yl)decan-1-one is CCCCCCCCCC(=O)c1ccoc1Br.
What is the InChIKey of 1-(2-bromofuran-3-yl)decan-1-one?
The InChIKey is HQZKSLIQDWPESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrO2/c1-2-3-4-5-6-7-8-9-13(16)12-10-11-17-14(12)15/h10-11H,2-9H2,1H3.
What are the key properties of 1-(2-bromofuran-3-yl)decan-1-one?
1-(2-bromofuran-3-yl)decan-1-one has a molecular weight of 301.22 g/mol, XLogP of 5.37, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromofuran-3-yl)decan-1-one is sourced from PubChem (CID 106856594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).