3-phenyl-2H-isoindole-1-carbaldehyde

C15H11NO — CID 3647595

IUPAC3-phenyl-2H-isoindole-1-carbaldehyde
SMILESO=Cc1[nH]c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C15H11NO/c17-10-14-12-8-4-5-9-13(12)15(16-14)11-6-2-1-3-7-11/h1-10,16H
InChIKeyPGAWEHDYYFRCTK-UHFFFAOYSA-N
MW221.26 g/mol
LogP3.65
Rot. Bonds2

About 3-phenyl-2H-isoindole-1-carbaldehyde

3-phenyl-2H-isoindole-1-carbaldehyde (PubChem CID 3647595) has the molecular formula C15H11NO and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-phenyl-2H-isoindole-1-carbaldehyde.

Molecular Properties

Compound Name3-phenyl-2H-isoindole-1-carbaldehyde
PubChem CID3647595
Molecular FormulaC15H11NO
Molecular Weight221.26 g/mol
Exact Mass221.08
IUPAC Name3-phenyl-2H-isoindole-1-carbaldehyde
SMILESO=Cc1[nH]c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C15H11NO/c17-10-14-12-8-4-5-9-13(12)15(16-14)11-6-2-1-3-7-11/h1-10,16H
InChIKeyPGAWEHDYYFRCTK-UHFFFAOYSA-N
XLogP3.65
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-phenyl-2H-isoindole-1-carbaldehyde 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 3-phenyl-2H-isoindole-1-carbaldehyde?
The IUPAC name of 3-phenyl-2H-isoindole-1-carbaldehyde (CID 3647595) is 3-phenyl-2H-isoindole-1-carbaldehyde.
What is the SMILES notation for 3-phenyl-2H-isoindole-1-carbaldehyde?
The canonical SMILES for 3-phenyl-2H-isoindole-1-carbaldehyde is O=Cc1[nH]c(-c2ccccc2)c2ccccc12.
What is the InChIKey of 3-phenyl-2H-isoindole-1-carbaldehyde?
The InChIKey is PGAWEHDYYFRCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO/c17-10-14-12-8-4-5-9-13(12)15(16-14)11-6-2-1-3-7-11/h1-10,16H.
What are the key properties of 3-phenyl-2H-isoindole-1-carbaldehyde?
3-phenyl-2H-isoindole-1-carbaldehyde has a molecular weight of 221.26 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2H-isoindole-1-carbaldehyde is sourced from PubChem (CID 3647595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).