5-methylfuran-2-carbonyl chloride

C6H5ClO2 — CID 2759851

IUPAC5-methylfuran-2-carbonyl chloride
SMILESCc1ccc(C(=O)Cl)o1
InChIInChI=1S/C6H5ClO2/c1-4-2-3-5(9-4)6(7)8/h2-3H,1H3
InChIKeyZURUVZFDEVKNCE-UHFFFAOYSA-N
MW144.56 g/mol
LogP1.97
Rot. Bonds1

About 5-methylfuran-2-carbonyl chloride

5-methylfuran-2-carbonyl chloride (PubChem CID 2759851) has the molecular formula C6H5ClO2 and a molecular weight of 144.56 g/mol. Its IUPAC name is 5-methylfuran-2-carbonyl chloride.

Molecular Properties

Compound Name5-methylfuran-2-carbonyl chloride
PubChem CID2759851
Molecular FormulaC6H5ClO2
Molecular Weight144.56 g/mol
Exact Mass144.00
IUPAC Name5-methylfuran-2-carbonyl chloride
SMILESCc1ccc(C(=O)Cl)o1
InChIInChI=1S/C6H5ClO2/c1-4-2-3-5(9-4)6(7)8/h2-3H,1H3
InChIKeyZURUVZFDEVKNCE-UHFFFAOYSA-N
XLogP1.97
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.56
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methylfuran-2-carbonyl chloride?
The IUPAC name of 5-methylfuran-2-carbonyl chloride (CID 2759851) is 5-methylfuran-2-carbonyl chloride.
What is the SMILES notation for 5-methylfuran-2-carbonyl chloride?
The canonical SMILES for 5-methylfuran-2-carbonyl chloride is Cc1ccc(C(=O)Cl)o1.
What is the InChIKey of 5-methylfuran-2-carbonyl chloride?
The InChIKey is ZURUVZFDEVKNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClO2/c1-4-2-3-5(9-4)6(7)8/h2-3H,1H3.
What are the key properties of 5-methylfuran-2-carbonyl chloride?
5-methylfuran-2-carbonyl chloride has a molecular weight of 144.56 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylfuran-2-carbonyl chloride is sourced from PubChem (CID 2759851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).