5-(methoxymethyl)furan-2-carbonyl chloride

C7H7ClO3 — CID 45081463

IUPAC5-(methoxymethyl)furan-2-carbonyl chloride
SMILESCOCc1ccc(C(=O)Cl)o1
InChIInChI=1S/C7H7ClO3/c1-10-4-5-2-3-6(11-5)7(8)9/h2-3H,4H2,1H3
InChIKeyWBBLYRUEXSDBGJ-UHFFFAOYSA-N
MW174.58 g/mol
LogP1.80
Rot. Bonds3

About 5-(methoxymethyl)furan-2-carbonyl chloride

5-(methoxymethyl)furan-2-carbonyl chloride (PubChem CID 45081463) has the molecular formula C7H7ClO3 and a molecular weight of 174.58 g/mol. Its IUPAC name is 5-(methoxymethyl)furan-2-carbonyl chloride.

Molecular Properties

Compound Name5-(methoxymethyl)furan-2-carbonyl chloride
PubChem CID45081463
Molecular FormulaC7H7ClO3
Molecular Weight174.58 g/mol
Exact Mass174.01
IUPAC Name5-(methoxymethyl)furan-2-carbonyl chloride
SMILESCOCc1ccc(C(=O)Cl)o1
InChIInChI=1S/C7H7ClO3/c1-10-4-5-2-3-6(11-5)7(8)9/h2-3H,4H2,1H3
InChIKeyWBBLYRUEXSDBGJ-UHFFFAOYSA-N
XLogP1.80
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.58
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(methoxymethyl)furan-2-yl]-2-oxoacetyl chloride
CID 45080964
5-[(5-carbonochloridoylfuran-2-yl)methyl]furan-2-carbonyl chloride
CID 12733577
5-(methoxymethyl)furan-2-carbothioamide
CID 127005352
N-[3-(aminomethyl)pentan-3-yl]-5-(methoxymethyl)furan-2-carboxamide
CID 119569164
(4-methylphenyl) 5-(methoxymethyl)furan-2-carboxylate
CID 78824404
(3,5-difluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanone
CID 113461687
5-[(2-chlorophenoxy)methyl]furan-2-carbonyl chloride
CID 19619567
(3-chloro-5-methylphenyl)-[5-(methoxymethyl)furan-2-yl]methanone
CID 113461681
N-[2-(2-methoxyethoxy)ethyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78874120
5-(methoxymethyl)-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119500596
5-(methoxymethyl)-N-phenylmethoxyfuran-2-carboxamide
CID 78827585
(2-bromofuran-3-yl)-[5-(methoxymethyl)furan-2-yl]methanone
CID 106851415

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)furan-2-carbonyl chloride?
The IUPAC name of 5-(methoxymethyl)furan-2-carbonyl chloride (CID 45081463) is 5-(methoxymethyl)furan-2-carbonyl chloride.
What is the SMILES notation for 5-(methoxymethyl)furan-2-carbonyl chloride?
The canonical SMILES for 5-(methoxymethyl)furan-2-carbonyl chloride is COCc1ccc(C(=O)Cl)o1.
What is the InChIKey of 5-(methoxymethyl)furan-2-carbonyl chloride?
The InChIKey is WBBLYRUEXSDBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO3/c1-10-4-5-2-3-6(11-5)7(8)9/h2-3H,4H2,1H3.
What are the key properties of 5-(methoxymethyl)furan-2-carbonyl chloride?
5-(methoxymethyl)furan-2-carbonyl chloride has a molecular weight of 174.58 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)furan-2-carbonyl chloride is sourced from PubChem (CID 45081463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).