2-[5-(methoxymethyl)furan-2-yl]-2-oxoacetyl chloride

C8H7ClO4 — CID 45080964

IUPAC2-[5-(methoxymethyl)furan-2-yl]-2-oxoacetyl chloride
SMILESCOCc1ccc(C(=O)C(=O)Cl)o1
InChIInChI=1S/C8H7ClO4/c1-12-4-5-2-3-6(13-5)7(10)8(9)11/h2-3H,4H2,1H3
InChIKeyICVYUCBMDDBEMW-UHFFFAOYSA-N
MW202.59 g/mol
LogP1.37
Rot. Bonds4

About 2-[5-(methoxymethyl)furan-2-yl]-2-oxoacetyl chloride

2-[5-(methoxymethyl)furan-2-yl]-2-oxoacetyl chloride (PubChem CID 45080964) has the molecular formula C8H7ClO4 and a molecular weight of 202.59 g/mol. Its IUPAC name is 2-[5-(methoxymethyl)furan-2-yl]-2-oxoacetyl chloride.

Molecular Properties

Compound Name2-[5-(methoxymethyl)furan-2-yl]-2-oxoacetyl chloride
PubChem CID45080964
Molecular FormulaC8H7ClO4
Molecular Weight202.59 g/mol
Exact Mass202.00
IUPAC Name2-[5-(methoxymethyl)furan-2-yl]-2-oxoacetyl chloride
SMILESCOCc1ccc(C(=O)C(=O)Cl)o1
InChIInChI=1S/C8H7ClO4/c1-12-4-5-2-3-6(13-5)7(10)8(9)11/h2-3H,4H2,1H3
InChIKeyICVYUCBMDDBEMW-UHFFFAOYSA-N
XLogP1.37
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.59
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(methoxymethyl)furan-2-carbonyl chloride
CID 45081463
5-(methoxymethyl)furan-2-carbothioamide
CID 127005352
(4-methylphenyl) 5-(methoxymethyl)furan-2-carboxylate
CID 78824404
(3,5-difluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanone
CID 113461687
(3-chloro-5-methylphenyl)-[5-(methoxymethyl)furan-2-yl]methanone
CID 113461681
5-(methoxymethyl)-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119500596
N-[2-(2-methoxyethoxy)ethyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78874120
5-(methoxymethyl)-N-phenylmethoxyfuran-2-carboxamide
CID 78827585
(2-bromofuran-3-yl)-[5-(methoxymethyl)furan-2-yl]methanone
CID 106851415
5-(methoxymethyl)furan-2-carboximidamide
CID 130995486
(4-propan-2-ylphenyl) 5-(methoxymethyl)furan-2-carboxylate
CID 78824631
5-(methoxymethyl)-N-methyl-N-(3-methylbutyl)furan-2-carboxamide
CID 78853341

Frequently Asked Questions

What is the IUPAC name of 2-[5-(methoxymethyl)furan-2-yl]-2-oxoacetyl chloride?
The IUPAC name of 2-[5-(methoxymethyl)furan-2-yl]-2-oxoacetyl chloride (CID 45080964) is 2-[5-(methoxymethyl)furan-2-yl]-2-oxoacetyl chloride.
What is the SMILES notation for 2-[5-(methoxymethyl)furan-2-yl]-2-oxoacetyl chloride?
The canonical SMILES for 2-[5-(methoxymethyl)furan-2-yl]-2-oxoacetyl chloride is COCc1ccc(C(=O)C(=O)Cl)o1.
What is the InChIKey of 2-[5-(methoxymethyl)furan-2-yl]-2-oxoacetyl chloride?
The InChIKey is ICVYUCBMDDBEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO4/c1-12-4-5-2-3-6(13-5)7(10)8(9)11/h2-3H,4H2,1H3.
What are the key properties of 2-[5-(methoxymethyl)furan-2-yl]-2-oxoacetyl chloride?
2-[5-(methoxymethyl)furan-2-yl]-2-oxoacetyl chloride has a molecular weight of 202.59 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(methoxymethyl)furan-2-yl]-2-oxoacetyl chloride is sourced from PubChem (CID 45080964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).