2-(1-benzofuran-2-yl)-6-chlorobenzaldehyde

C15H9ClO2 — CID 170403113

IUPAC2-(1-benzofuran-2-yl)-6-chlorobenzaldehyde
SMILESO=Cc1c(Cl)cccc1-c1cc2ccccc2o1
InChIInChI=1S/C15H9ClO2/c16-13-6-3-5-11(12(13)9-17)15-8-10-4-1-2-7-14(10)18-15/h1-9H
InChIKeyYPPGLDPVGQBHSC-UHFFFAOYSA-N
MW256.69 g/mol
LogP4.57
Rot. Bonds2

About 2-(1-benzofuran-2-yl)-6-chlorobenzaldehyde

2-(1-benzofuran-2-yl)-6-chlorobenzaldehyde (PubChem CID 170403113) has the molecular formula C15H9ClO2 and a molecular weight of 256.69 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-6-chlorobenzaldehyde.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-6-chlorobenzaldehyde
PubChem CID170403113
Molecular FormulaC15H9ClO2
Molecular Weight256.69 g/mol
Exact Mass256.03
IUPAC Name2-(1-benzofuran-2-yl)-6-chlorobenzaldehyde
SMILESO=Cc1c(Cl)cccc1-c1cc2ccccc2o1
InChIInChI=1S/C15H9ClO2/c16-13-6-3-5-11(12(13)9-17)15-8-10-4-1-2-7-14(10)18-15/h1-9H
InChIKeyYPPGLDPVGQBHSC-UHFFFAOYSA-N
XLogP4.57
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1-benzofuran-2-yl)-6-chlorobenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-6-chlorobenzaldehyde?
The IUPAC name of 2-(1-benzofuran-2-yl)-6-chlorobenzaldehyde (CID 170403113) is 2-(1-benzofuran-2-yl)-6-chlorobenzaldehyde.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-6-chlorobenzaldehyde?
The canonical SMILES for 2-(1-benzofuran-2-yl)-6-chlorobenzaldehyde is O=Cc1c(Cl)cccc1-c1cc2ccccc2o1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-6-chlorobenzaldehyde?
The InChIKey is YPPGLDPVGQBHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClO2/c16-13-6-3-5-11(12(13)9-17)15-8-10-4-1-2-7-14(10)18-15/h1-9H.
What are the key properties of 2-(1-benzofuran-2-yl)-6-chlorobenzaldehyde?
2-(1-benzofuran-2-yl)-6-chlorobenzaldehyde has a molecular weight of 256.69 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-6-chlorobenzaldehyde is sourced from PubChem (CID 170403113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).