4-(5-formyloxyfuran-2-yl)butanoic acid

C9H10O5 — CID 121288556

IUPAC4-(5-formyloxyfuran-2-yl)butanoic acid
SMILESO=COc1ccc(CCCC(=O)O)o1
InChIInChI=1S/C9H10O5/c10-6-13-9-5-4-7(14-9)2-1-3-8(11)12/h4-6H,1-3H2,(H,11,12)
InChIKeyHQMHVPLPYADCSI-UHFFFAOYSA-N
MW198.17 g/mol
LogP1.22
Rot. Bonds6

About 4-(5-formyloxyfuran-2-yl)butanoic acid

4-(5-formyloxyfuran-2-yl)butanoic acid (PubChem CID 121288556) has the molecular formula C9H10O5 and a molecular weight of 198.17 g/mol. Its IUPAC name is 4-(5-formyloxyfuran-2-yl)butanoic acid.

Molecular Properties

Compound Name4-(5-formyloxyfuran-2-yl)butanoic acid
PubChem CID121288556
Molecular FormulaC9H10O5
Molecular Weight198.17 g/mol
Exact Mass198.05
IUPAC Name4-(5-formyloxyfuran-2-yl)butanoic acid
SMILESO=COc1ccc(CCCC(=O)O)o1
InChIInChI=1S/C9H10O5/c10-6-13-9-5-4-7(14-9)2-1-3-8(11)12/h4-6H,1-3H2,(H,11,12)
InChIKeyHQMHVPLPYADCSI-UHFFFAOYSA-N
XLogP1.22
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5-butylfuran-2-yl) formate;5-(5-hexylfuran-2-yl)pentyl formate
CID 157234362
7-[5-(6-carboxy-4-formyloxyhexyl)furan-2-yl]-4-methylheptanoic acid
CID 121288540
3-[5-(2-chlorophenoxy)furan-2-yl]propanoic acid
CID 28814865
3-(5-sulfanylfuran-2-yl)propanoic acid
CID 119087453
5-[2-(5-methylfuran-2-yl)ethylamino]pentanoic acid
CID 115219138
methyl 3-(5-methoxyfuran-2-yl)propanoate
CID 13149551
4-(5-formyl-2,3-dihydro-1,4-benzodioxin-8-yl)butanoic acid
CID 117378445
[5-(hydroxymethyl)furan-2-yl]methanol;bis(octanoic acid)
CID 118471769
2-(5-hexylfuran-2-yl)acetic acid
CID 10954815
4-[(5-aminofuran-2-yl)methylamino]butanoic acid
CID 82344527
5-[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]-5-oxopentanoic acid
CID 115163900
4-(2-amino-6-methylphenyl)butanoic acid
CID 83853038

Frequently Asked Questions

What is the IUPAC name of 4-(5-formyloxyfuran-2-yl)butanoic acid?
The IUPAC name of 4-(5-formyloxyfuran-2-yl)butanoic acid (CID 121288556) is 4-(5-formyloxyfuran-2-yl)butanoic acid.
What is the SMILES notation for 4-(5-formyloxyfuran-2-yl)butanoic acid?
The canonical SMILES for 4-(5-formyloxyfuran-2-yl)butanoic acid is O=COc1ccc(CCCC(=O)O)o1.
What is the InChIKey of 4-(5-formyloxyfuran-2-yl)butanoic acid?
The InChIKey is HQMHVPLPYADCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O5/c10-6-13-9-5-4-7(14-9)2-1-3-8(11)12/h4-6H,1-3H2,(H,11,12).
What are the key properties of 4-(5-formyloxyfuran-2-yl)butanoic acid?
4-(5-formyloxyfuran-2-yl)butanoic acid has a molecular weight of 198.17 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-formyloxyfuran-2-yl)butanoic acid is sourced from PubChem (CID 121288556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).