4-(2-benzyl-1-benzofuran-5-yl)-3-fluorobenzaldehyde

C22H15FO2 — CID 58415370

IUPAC4-(2-benzyl-1-benzofuran-5-yl)-3-fluorobenzaldehyde
SMILESO=Cc1ccc(-c2ccc3oc(Cc4ccccc4)cc3c2)c(F)c1
InChIInChI=1S/C22H15FO2/c23-21-11-16(14-24)6-8-20(21)17-7-9-22-18(12-17)13-19(25-22)10-15-4-2-1-3-5-15/h1-9,11-14H,10H2
InChIKeyZXQHCRGTWZUZIV-UHFFFAOYSA-N
MW330.36 g/mol
LogP5.64
Rot. Bonds4

About 4-(2-benzyl-1-benzofuran-5-yl)-3-fluorobenzaldehyde

4-(2-benzyl-1-benzofuran-5-yl)-3-fluorobenzaldehyde (PubChem CID 58415370) has the molecular formula C22H15FO2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 4-(2-benzyl-1-benzofuran-5-yl)-3-fluorobenzaldehyde.

Molecular Properties

Compound Name4-(2-benzyl-1-benzofuran-5-yl)-3-fluorobenzaldehyde
PubChem CID58415370
Molecular FormulaC22H15FO2
Molecular Weight330.36 g/mol
Exact Mass330.11
IUPAC Name4-(2-benzyl-1-benzofuran-5-yl)-3-fluorobenzaldehyde
SMILESO=Cc1ccc(-c2ccc3oc(Cc4ccccc4)cc3c2)c(F)c1
InChIInChI=1S/C22H15FO2/c23-21-11-16(14-24)6-8-20(21)17-7-9-22-18(12-17)13-19(25-22)10-15-4-2-1-3-5-15/h1-9,11-14H,10H2
InChIKeyZXQHCRGTWZUZIV-UHFFFAOYSA-N
XLogP5.64
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.36
LogP ≤ 55.64
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-(2-benzyl-1-benzofuran-5-yl)-3-fluorobenzaldehyde?
The IUPAC name of 4-(2-benzyl-1-benzofuran-5-yl)-3-fluorobenzaldehyde (CID 58415370) is 4-(2-benzyl-1-benzofuran-5-yl)-3-fluorobenzaldehyde.
What is the SMILES notation for 4-(2-benzyl-1-benzofuran-5-yl)-3-fluorobenzaldehyde?
The canonical SMILES for 4-(2-benzyl-1-benzofuran-5-yl)-3-fluorobenzaldehyde is O=Cc1ccc(-c2ccc3oc(Cc4ccccc4)cc3c2)c(F)c1.
What is the InChIKey of 4-(2-benzyl-1-benzofuran-5-yl)-3-fluorobenzaldehyde?
The InChIKey is ZXQHCRGTWZUZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FO2/c23-21-11-16(14-24)6-8-20(21)17-7-9-22-18(12-17)13-19(25-22)10-15-4-2-1-3-5-15/h1-9,11-14H,10H2.
What are the key properties of 4-(2-benzyl-1-benzofuran-5-yl)-3-fluorobenzaldehyde?
4-(2-benzyl-1-benzofuran-5-yl)-3-fluorobenzaldehyde has a molecular weight of 330.36 g/mol, XLogP of 5.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzyl-1-benzofuran-5-yl)-3-fluorobenzaldehyde is sourced from PubChem (CID 58415370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).