3-[3-(2-cyclopropylethenyl)phenyl]butanal

C15H18O — CID 140797915

IUPAC3-[3-(2-cyclopropylethenyl)phenyl]butanal
SMILESCC(CC=O)c1cccc(C=CC2CC2)c1
InChIInChI=1S/C15H18O/c1-12(9-10-16)15-4-2-3-14(11-15)8-7-13-5-6-13/h2-4,7-8,10-13H,5-6,9H2,1H3
InChIKeyLAJGFUWKENDDSE-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.80
Rot. Bonds5

About 3-[3-(2-cyclopropylethenyl)phenyl]butanal

3-[3-(2-cyclopropylethenyl)phenyl]butanal (PubChem CID 140797915) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-[3-(2-cyclopropylethenyl)phenyl]butanal.

Molecular Properties

Compound Name3-[3-(2-cyclopropylethenyl)phenyl]butanal
PubChem CID140797915
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name3-[3-(2-cyclopropylethenyl)phenyl]butanal
SMILESCC(CC=O)c1cccc(C=CC2CC2)c1
InChIInChI=1S/C15H18O/c1-12(9-10-16)15-4-2-3-14(11-15)8-7-13-5-6-13/h2-4,7-8,10-13H,5-6,9H2,1H3
InChIKeyLAJGFUWKENDDSE-UHFFFAOYSA-N
XLogP3.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-[3-(2-cyclopropylethenyl)phenyl]butanal 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-[3-(2-cyclopropylethenyl)phenyl]butanal?
The IUPAC name of 3-[3-(2-cyclopropylethenyl)phenyl]butanal (CID 140797915) is 3-[3-(2-cyclopropylethenyl)phenyl]butanal.
What is the SMILES notation for 3-[3-(2-cyclopropylethenyl)phenyl]butanal?
The canonical SMILES for 3-[3-(2-cyclopropylethenyl)phenyl]butanal is CC(CC=O)c1cccc(C=CC2CC2)c1.
What is the InChIKey of 3-[3-(2-cyclopropylethenyl)phenyl]butanal?
The InChIKey is LAJGFUWKENDDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O/c1-12(9-10-16)15-4-2-3-14(11-15)8-7-13-5-6-13/h2-4,7-8,10-13H,5-6,9H2,1H3.
What are the key properties of 3-[3-(2-cyclopropylethenyl)phenyl]butanal?
3-[3-(2-cyclopropylethenyl)phenyl]butanal has a molecular weight of 214.31 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-cyclopropylethenyl)phenyl]butanal is sourced from PubChem (CID 140797915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).