4-(furan-2-yl)benzaldehyde

C11H8O2 — CID 2772295

IUPAC4-(furan-2-yl)benzaldehyde
SMILESO=Cc1ccc(-c2ccco2)cc1
InChIInChI=1S/C11H8O2/c12-8-9-3-5-10(6-4-9)11-2-1-7-13-11/h1-8H
InChIKeyWBUXKMOCVYRVES-UHFFFAOYSA-N
MW172.18 g/mol
LogP2.76
Rot. Bonds2

About 4-(furan-2-yl)benzaldehyde

4-(furan-2-yl)benzaldehyde (PubChem CID 2772295) has the molecular formula C11H8O2 and a molecular weight of 172.18 g/mol. Its IUPAC name is 4-(furan-2-yl)benzaldehyde.

Molecular Properties

Compound Name4-(furan-2-yl)benzaldehyde
PubChem CID2772295
Molecular FormulaC11H8O2
Molecular Weight172.18 g/mol
Exact Mass172.05
IUPAC Name4-(furan-2-yl)benzaldehyde
SMILESO=Cc1ccc(-c2ccco2)cc1
InChIInChI=1S/C11H8O2/c12-8-9-3-5-10(6-4-9)11-2-1-7-13-11/h1-8H
InChIKeyWBUXKMOCVYRVES-UHFFFAOYSA-N
XLogP2.76
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)benzaldehyde?
The IUPAC name of 4-(furan-2-yl)benzaldehyde (CID 2772295) is 4-(furan-2-yl)benzaldehyde.
What is the SMILES notation for 4-(furan-2-yl)benzaldehyde?
The canonical SMILES for 4-(furan-2-yl)benzaldehyde is O=Cc1ccc(-c2ccco2)cc1.
What is the InChIKey of 4-(furan-2-yl)benzaldehyde?
The InChIKey is WBUXKMOCVYRVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O2/c12-8-9-3-5-10(6-4-9)11-2-1-7-13-11/h1-8H.
What are the key properties of 4-(furan-2-yl)benzaldehyde?
4-(furan-2-yl)benzaldehyde has a molecular weight of 172.18 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)benzaldehyde is sourced from PubChem (CID 2772295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).