5-bromo-2-(cyclohexylmethyl)furan-3-carbaldehyde

C12H15BrO2 — CID 82379145

IUPAC5-bromo-2-(cyclohexylmethyl)furan-3-carbaldehyde
SMILESO=Cc1cc(Br)oc1CC1CCCCC1
InChIInChI=1S/C12H15BrO2/c13-12-7-10(8-14)11(15-12)6-9-4-2-1-3-5-9/h7-9H,1-6H2
InChIKeyDAMNGYBQNLQXTD-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.98
Rot. Bonds3

About 5-bromo-2-(cyclohexylmethyl)furan-3-carbaldehyde

5-bromo-2-(cyclohexylmethyl)furan-3-carbaldehyde (PubChem CID 82379145) has the molecular formula C12H15BrO2 and a molecular weight of 271.15 g/mol. Its IUPAC name is 5-bromo-2-(cyclohexylmethyl)furan-3-carbaldehyde.

Molecular Properties

Compound Name5-bromo-2-(cyclohexylmethyl)furan-3-carbaldehyde
PubChem CID82379145
Molecular FormulaC12H15BrO2
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name5-bromo-2-(cyclohexylmethyl)furan-3-carbaldehyde
SMILESO=Cc1cc(Br)oc1CC1CCCCC1
InChIInChI=1S/C12H15BrO2/c13-12-7-10(8-14)11(15-12)6-9-4-2-1-3-5-9/h7-9H,1-6H2
InChIKeyDAMNGYBQNLQXTD-UHFFFAOYSA-N
XLogP3.98
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(cyclohexylmethyl)furan-3-carbaldehyde?
The IUPAC name of 5-bromo-2-(cyclohexylmethyl)furan-3-carbaldehyde (CID 82379145) is 5-bromo-2-(cyclohexylmethyl)furan-3-carbaldehyde.
What is the SMILES notation for 5-bromo-2-(cyclohexylmethyl)furan-3-carbaldehyde?
The canonical SMILES for 5-bromo-2-(cyclohexylmethyl)furan-3-carbaldehyde is O=Cc1cc(Br)oc1CC1CCCCC1.
What is the InChIKey of 5-bromo-2-(cyclohexylmethyl)furan-3-carbaldehyde?
The InChIKey is DAMNGYBQNLQXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO2/c13-12-7-10(8-14)11(15-12)6-9-4-2-1-3-5-9/h7-9H,1-6H2.
What are the key properties of 5-bromo-2-(cyclohexylmethyl)furan-3-carbaldehyde?
5-bromo-2-(cyclohexylmethyl)furan-3-carbaldehyde has a molecular weight of 271.15 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(cyclohexylmethyl)furan-3-carbaldehyde is sourced from PubChem (CID 82379145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).