4-methoxyfuran-2-carbonyl chloride

C6H5ClO3 — CID 21185644

IUPAC4-methoxyfuran-2-carbonyl chloride
SMILESCOc1coc(C(=O)Cl)c1
InChIInChI=1S/C6H5ClO3/c1-9-4-2-5(6(7)8)10-3-4/h2-3H,1H3
InChIKeyIAYUTSOUTAHBHC-UHFFFAOYSA-N
MW160.56 g/mol
LogP1.67
Rot. Bonds2

About 4-methoxyfuran-2-carbonyl chloride

4-methoxyfuran-2-carbonyl chloride (PubChem CID 21185644) has the molecular formula C6H5ClO3 and a molecular weight of 160.56 g/mol. Its IUPAC name is 4-methoxyfuran-2-carbonyl chloride.

Molecular Properties

Compound Name4-methoxyfuran-2-carbonyl chloride
PubChem CID21185644
Molecular FormulaC6H5ClO3
Molecular Weight160.56 g/mol
Exact Mass159.99
IUPAC Name4-methoxyfuran-2-carbonyl chloride
SMILESCOc1coc(C(=O)Cl)c1
InChIInChI=1S/C6H5ClO3/c1-9-4-2-5(6(7)8)10-3-4/h2-3H,1H3
InChIKeyIAYUTSOUTAHBHC-UHFFFAOYSA-N
XLogP1.67
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.56
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-methoxyfuran-2-carbonyl chloride?
The IUPAC name of 4-methoxyfuran-2-carbonyl chloride (CID 21185644) is 4-methoxyfuran-2-carbonyl chloride.
What is the SMILES notation for 4-methoxyfuran-2-carbonyl chloride?
The canonical SMILES for 4-methoxyfuran-2-carbonyl chloride is COc1coc(C(=O)Cl)c1.
What is the InChIKey of 4-methoxyfuran-2-carbonyl chloride?
The InChIKey is IAYUTSOUTAHBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClO3/c1-9-4-2-5(6(7)8)10-3-4/h2-3H,1H3.
What are the key properties of 4-methoxyfuran-2-carbonyl chloride?
4-methoxyfuran-2-carbonyl chloride has a molecular weight of 160.56 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxyfuran-2-carbonyl chloride is sourced from PubChem (CID 21185644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).