4-(bromomethyl)-4-(5-methylfuran-2-yl)oxane

C11H15BrO2 — CID 83693529

IUPAC4-(bromomethyl)-4-(5-methylfuran-2-yl)oxane
SMILESCc1ccc(C2(CBr)CCOCC2)o1
InChIInChI=1S/C11H15BrO2/c1-9-2-3-10(14-9)11(8-12)4-6-13-7-5-11/h2-3H,4-8H2,1H3
InChIKeyMPVQQGRVKVWUII-UHFFFAOYSA-N
MW259.14 g/mol
LogP3.03
Rot. Bonds2

About 4-(bromomethyl)-4-(5-methylfuran-2-yl)oxane

4-(bromomethyl)-4-(5-methylfuran-2-yl)oxane (PubChem CID 83693529) has the molecular formula C11H15BrO2 and a molecular weight of 259.14 g/mol. Its IUPAC name is 4-(bromomethyl)-4-(5-methylfuran-2-yl)oxane.

Molecular Properties

Compound Name4-(bromomethyl)-4-(5-methylfuran-2-yl)oxane
PubChem CID83693529
Molecular FormulaC11H15BrO2
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name4-(bromomethyl)-4-(5-methylfuran-2-yl)oxane
SMILESCc1ccc(C2(CBr)CCOCC2)o1
InChIInChI=1S/C11H15BrO2/c1-9-2-3-10(14-9)11(8-12)4-6-13-7-5-11/h2-3H,4-8H2,1H3
InChIKeyMPVQQGRVKVWUII-UHFFFAOYSA-N
XLogP3.03
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-(5-methylfuran-2-yl)cyclopropyl]methanamine
CID 96733818
2-[1-(5-methylfuran-2-yl)cyclopropyl]acetic acid
CID 83683572
2-(bromomethyl)-5-[1-[5-(bromomethyl)furan-2-yl]cyclohexyl]furan;2-methyl-5-[1-(5-methylfuran-2-yl)cyclohexyl]furan
CID 159672200
4-(bromomethyl)-4-(2-fluorophenyl)oxane
CID 82093429
2-[3-(4-methoxyphenyl)oxolan-3-yl]-5-methylfuran
CID 167506148
1-[1-(5-methylfuran-2-yl)cyclopropyl]cyclopropan-1-amine
CID 83683243
[4-(aminomethyl)oxan-4-yl]-(5-methylfuran-2-yl)methanol
CID 79134603
ethane;4-ethyl-4-(3-methylphenyl)oxane
CID 143442459
[3-(5-methylfuran-2-yl)oxolan-3-yl] 2,2-dimethylbutanoate
CID 158386402
4-(bromomethyl)-4-methyloxane
CID 64985111
[2-(5-methylfuran-2-yl)pyrrolidin-2-yl]methanol
CID 115103335
2-[1-(5-methylfuran-2-yl)cyclopropyl]pyrrolidine
CID 112714948

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-4-(5-methylfuran-2-yl)oxane?
The IUPAC name of 4-(bromomethyl)-4-(5-methylfuran-2-yl)oxane (CID 83693529) is 4-(bromomethyl)-4-(5-methylfuran-2-yl)oxane.
What is the SMILES notation for 4-(bromomethyl)-4-(5-methylfuran-2-yl)oxane?
The canonical SMILES for 4-(bromomethyl)-4-(5-methylfuran-2-yl)oxane is Cc1ccc(C2(CBr)CCOCC2)o1.
What is the InChIKey of 4-(bromomethyl)-4-(5-methylfuran-2-yl)oxane?
The InChIKey is MPVQQGRVKVWUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO2/c1-9-2-3-10(14-9)11(8-12)4-6-13-7-5-11/h2-3H,4-8H2,1H3.
What are the key properties of 4-(bromomethyl)-4-(5-methylfuran-2-yl)oxane?
4-(bromomethyl)-4-(5-methylfuran-2-yl)oxane has a molecular weight of 259.14 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-4-(5-methylfuran-2-yl)oxane is sourced from PubChem (CID 83693529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).