5-(5-formylfuran-3-yl)furan-2-carbaldehyde

C10H6O4 — CID 175213129

IUPAC5-(5-formylfuran-3-yl)furan-2-carbaldehyde
SMILESO=Cc1cc(-c2ccc(C=O)o2)co1
InChIInChI=1S/C10H6O4/c11-4-8-1-2-10(14-8)7-3-9(5-12)13-6-7/h1-6H
InChIKeyQKXIOOTYBWUCGI-UHFFFAOYSA-N
MW190.15 g/mol
LogP2.16
Rot. Bonds3

About 5-(5-formylfuran-3-yl)furan-2-carbaldehyde

5-(5-formylfuran-3-yl)furan-2-carbaldehyde (PubChem CID 175213129) has the molecular formula C10H6O4 and a molecular weight of 190.15 g/mol. Its IUPAC name is 5-(5-formylfuran-3-yl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(5-formylfuran-3-yl)furan-2-carbaldehyde
PubChem CID175213129
Molecular FormulaC10H6O4
Molecular Weight190.15 g/mol
Exact Mass190.03
IUPAC Name5-(5-formylfuran-3-yl)furan-2-carbaldehyde
SMILESO=Cc1cc(-c2ccc(C=O)o2)co1
InChIInChI=1S/C10H6O4/c11-4-8-1-2-10(14-8)7-3-9(5-12)13-6-7/h1-6H
InChIKeyQKXIOOTYBWUCGI-UHFFFAOYSA-N
XLogP2.16
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-formylphenyl)furan-2-carbaldehyde
CID 7183276
5-(4-tert-butylphenyl)furan-2-carbaldehyde
CID 22566716
5-(4-sulfanylphenyl)furan-2-carbaldehyde
CID 169336212
5-(4-bromophenyl)furan-2-carbaldehyde
CID 619577
4-(4-chlorophenyl)furan-2-carbaldehyde
CID 71424930
5-(3,5-dibromo-4-hydroxyphenyl)furan-2-carbaldehyde
CID 169332104
5-(5-formylfuran-2-yl)pyridine-3-carbaldehyde
CID 165454352
5-(3-iodo-4-methylphenyl)furan-2-carbaldehyde
CID 130498195
furan;5-phenylfuran-2-carbaldehyde
CID 175007564
5-(4-methylsulfanylphenyl)furan-2-carbaldehyde
CID 4674822
5-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]furan-2-carbaldehyde
CID 169334900
4-(3-chlorophenyl)furan-2-carbaldehyde
CID 87992814

Frequently Asked Questions

What is the IUPAC name of 5-(5-formylfuran-3-yl)furan-2-carbaldehyde?
The IUPAC name of 5-(5-formylfuran-3-yl)furan-2-carbaldehyde (CID 175213129) is 5-(5-formylfuran-3-yl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(5-formylfuran-3-yl)furan-2-carbaldehyde?
The canonical SMILES for 5-(5-formylfuran-3-yl)furan-2-carbaldehyde is O=Cc1cc(-c2ccc(C=O)o2)co1.
What is the InChIKey of 5-(5-formylfuran-3-yl)furan-2-carbaldehyde?
The InChIKey is QKXIOOTYBWUCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O4/c11-4-8-1-2-10(14-8)7-3-9(5-12)13-6-7/h1-6H.
What are the key properties of 5-(5-formylfuran-3-yl)furan-2-carbaldehyde?
5-(5-formylfuran-3-yl)furan-2-carbaldehyde has a molecular weight of 190.15 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-formylfuran-3-yl)furan-2-carbaldehyde is sourced from PubChem (CID 175213129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).