4-(1-benzofuran-3-yl)benzaldehyde

C15H10O2 — CID 21320302

IUPAC4-(1-benzofuran-3-yl)benzaldehyde
SMILESO=Cc1ccc(-c2coc3ccccc23)cc1
InChIInChI=1S/C15H10O2/c16-9-11-5-7-12(8-6-11)14-10-17-15-4-2-1-3-13(14)15/h1-10H
InChIKeyPXACVUROXFLJFW-UHFFFAOYSA-N
MW222.24 g/mol
LogP3.91
Rot. Bonds2

About 4-(1-benzofuran-3-yl)benzaldehyde

4-(1-benzofuran-3-yl)benzaldehyde (PubChem CID 21320302) has the molecular formula C15H10O2 and a molecular weight of 222.24 g/mol. Its IUPAC name is 4-(1-benzofuran-3-yl)benzaldehyde.

Molecular Properties

Compound Name4-(1-benzofuran-3-yl)benzaldehyde
PubChem CID21320302
Molecular FormulaC15H10O2
Molecular Weight222.24 g/mol
Exact Mass222.07
IUPAC Name4-(1-benzofuran-3-yl)benzaldehyde
SMILESO=Cc1ccc(-c2coc3ccccc23)cc1
InChIInChI=1S/C15H10O2/c16-9-11-5-7-12(8-6-11)14-10-17-15-4-2-1-3-13(14)15/h1-10H
InChIKeyPXACVUROXFLJFW-UHFFFAOYSA-N
XLogP3.91
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 53.91
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-(1-benzofuran-3-yl)benzaldehyde?
The IUPAC name of 4-(1-benzofuran-3-yl)benzaldehyde (CID 21320302) is 4-(1-benzofuran-3-yl)benzaldehyde.
What is the SMILES notation for 4-(1-benzofuran-3-yl)benzaldehyde?
The canonical SMILES for 4-(1-benzofuran-3-yl)benzaldehyde is O=Cc1ccc(-c2coc3ccccc23)cc1.
What is the InChIKey of 4-(1-benzofuran-3-yl)benzaldehyde?
The InChIKey is PXACVUROXFLJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O2/c16-9-11-5-7-12(8-6-11)14-10-17-15-4-2-1-3-13(14)15/h1-10H.
What are the key properties of 4-(1-benzofuran-3-yl)benzaldehyde?
4-(1-benzofuran-3-yl)benzaldehyde has a molecular weight of 222.24 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-3-yl)benzaldehyde is sourced from PubChem (CID 21320302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).