2-(4-cyclobutylphenyl)benzaldehyde

C17H16O — CID 116506540

IUPAC2-(4-cyclobutylphenyl)benzaldehyde
SMILESO=Cc1ccccc1-c1ccc(C2CCC2)cc1
InChIInChI=1S/C17H16O/c18-12-16-4-1-2-7-17(16)15-10-8-14(9-11-15)13-5-3-6-13/h1-2,4,7-13H,3,5-6H2
InChIKeyXFMSJSSRESCATR-UHFFFAOYSA-N
MW236.31 g/mol
LogP4.43
Rot. Bonds3

About 2-(4-cyclobutylphenyl)benzaldehyde

2-(4-cyclobutylphenyl)benzaldehyde (PubChem CID 116506540) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(4-cyclobutylphenyl)benzaldehyde.

Molecular Properties

Compound Name2-(4-cyclobutylphenyl)benzaldehyde
PubChem CID116506540
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name2-(4-cyclobutylphenyl)benzaldehyde
SMILESO=Cc1ccccc1-c1ccc(C2CCC2)cc1
InChIInChI=1S/C17H16O/c18-12-16-4-1-2-7-17(16)15-10-8-14(9-11-15)13-5-3-6-13/h1-2,4,7-13H,3,5-6H2
InChIKeyXFMSJSSRESCATR-UHFFFAOYSA-N
XLogP4.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(4-cyclobutylphenyl)benzaldehyde 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-(4-cyclobutylphenyl)benzaldehyde?
The IUPAC name of 2-(4-cyclobutylphenyl)benzaldehyde (CID 116506540) is 2-(4-cyclobutylphenyl)benzaldehyde.
What is the SMILES notation for 2-(4-cyclobutylphenyl)benzaldehyde?
The canonical SMILES for 2-(4-cyclobutylphenyl)benzaldehyde is O=Cc1ccccc1-c1ccc(C2CCC2)cc1.
What is the InChIKey of 2-(4-cyclobutylphenyl)benzaldehyde?
The InChIKey is XFMSJSSRESCATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O/c18-12-16-4-1-2-7-17(16)15-10-8-14(9-11-15)13-5-3-6-13/h1-2,4,7-13H,3,5-6H2.
What are the key properties of 2-(4-cyclobutylphenyl)benzaldehyde?
2-(4-cyclobutylphenyl)benzaldehyde has a molecular weight of 236.31 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclobutylphenyl)benzaldehyde is sourced from PubChem (CID 116506540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).