2-(5-phenylfuran-2-yl)acetaldehyde

C12H10O2 — CID 101495909

IUPAC2-(5-phenylfuran-2-yl)acetaldehyde
SMILESO=CCc1ccc(-c2ccccc2)o1
InChIInChI=1S/C12H10O2/c13-9-8-11-6-7-12(14-11)10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKeyPSOGFGPXVGCRQR-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.69
Rot. Bonds3

About 2-(5-phenylfuran-2-yl)acetaldehyde

2-(5-phenylfuran-2-yl)acetaldehyde (PubChem CID 101495909) has the molecular formula C12H10O2 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-(5-phenylfuran-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(5-phenylfuran-2-yl)acetaldehyde
PubChem CID101495909
Molecular FormulaC12H10O2
Molecular Weight186.21 g/mol
Exact Mass186.07
IUPAC Name2-(5-phenylfuran-2-yl)acetaldehyde
SMILESO=CCc1ccc(-c2ccccc2)o1
InChIInChI=1S/C12H10O2/c13-9-8-11-6-7-12(14-11)10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKeyPSOGFGPXVGCRQR-UHFFFAOYSA-N
XLogP2.69
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(5-phenylfuran-2-yl)acetaldehyde 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-(5-phenylfuran-2-yl)acetaldehyde?
The IUPAC name of 2-(5-phenylfuran-2-yl)acetaldehyde (CID 101495909) is 2-(5-phenylfuran-2-yl)acetaldehyde.
What is the SMILES notation for 2-(5-phenylfuran-2-yl)acetaldehyde?
The canonical SMILES for 2-(5-phenylfuran-2-yl)acetaldehyde is O=CCc1ccc(-c2ccccc2)o1.
What is the InChIKey of 2-(5-phenylfuran-2-yl)acetaldehyde?
The InChIKey is PSOGFGPXVGCRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2/c13-9-8-11-6-7-12(14-11)10-4-2-1-3-5-10/h1-7,9H,8H2.
What are the key properties of 2-(5-phenylfuran-2-yl)acetaldehyde?
2-(5-phenylfuran-2-yl)acetaldehyde has a molecular weight of 186.21 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenylfuran-2-yl)acetaldehyde is sourced from PubChem (CID 101495909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).