5-methyl-2-(3-phenylprop-2-enoxy)benzaldehyde

C17H16O2 — CID 77011403

IUPAC5-methyl-2-(3-phenylprop-2-enoxy)benzaldehyde
SMILESCc1ccc(OCC=Cc2ccccc2)c(C=O)c1
InChIInChI=1S/C17H16O2/c1-14-9-10-17(16(12-14)13-18)19-11-5-8-15-6-3-2-4-7-15/h2-10,12-13H,11H2,1H3
InChIKeyJNGBNQJPELIFGC-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.90
Rot. Bonds5

About 5-methyl-2-(3-phenylprop-2-enoxy)benzaldehyde

5-methyl-2-(3-phenylprop-2-enoxy)benzaldehyde (PubChem CID 77011403) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 5-methyl-2-(3-phenylprop-2-enoxy)benzaldehyde.

Molecular Properties

Compound Name5-methyl-2-(3-phenylprop-2-enoxy)benzaldehyde
PubChem CID77011403
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name5-methyl-2-(3-phenylprop-2-enoxy)benzaldehyde
SMILESCc1ccc(OCC=Cc2ccccc2)c(C=O)c1
InChIInChI=1S/C17H16O2/c1-14-9-10-17(16(12-14)13-18)19-11-5-8-15-6-3-2-4-7-15/h2-10,12-13H,11H2,1H3
InChIKeyJNGBNQJPELIFGC-UHFFFAOYSA-N
XLogP3.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-methyl-2-(3-phenylprop-2-enoxy)benzaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

2-(3-chloroprop-2-enoxy)-5-methylbenzaldehyde
CID 77011402
5-methyl-2-(2-phenoxyethoxy)benzaldehyde
CID 54794871
5-methyl-2-phenylmethoxybenzaldehyde
CID 1247883
(1S)-1-[5-methyl-2-(3-phenylprop-2-enoxy)phenyl]ethanamine
CID 78936353
1-[5-methyl-2-[(E)-3-phenylprop-2-enoxy]phenyl]ethanol
CID 43505396
ethane;5-methyl-2-phenylmethoxybenzaldehyde
CID 142857349
2-[4-(2-formyl-4-methylphenoxy)butoxy]-5-methylbenzaldehyde
CID 51358055
5-methyl-2-(3-phenylpropoxy)benzaldehyde
CID 54794870
5-methyl-2-(3-methylbut-2-enoxy)benzaldehyde
CID 63325352
3-chloro-4-(3-phenylprop-2-enoxy)benzaldehyde
CID 76914544
5-methyl-6-[(E)-3-phenylprop-2-enoxy]pyridine-3-carbaldehyde
CID 80631745
2-[2-[(2-formyl-4-methylphenoxy)methyl]prop-2-enoxy]-5-methylbenzaldehyde
CID 15536551

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3-phenylprop-2-enoxy)benzaldehyde?
The IUPAC name of 5-methyl-2-(3-phenylprop-2-enoxy)benzaldehyde (CID 77011403) is 5-methyl-2-(3-phenylprop-2-enoxy)benzaldehyde.
What is the SMILES notation for 5-methyl-2-(3-phenylprop-2-enoxy)benzaldehyde?
The canonical SMILES for 5-methyl-2-(3-phenylprop-2-enoxy)benzaldehyde is Cc1ccc(OCC=Cc2ccccc2)c(C=O)c1.
What is the InChIKey of 5-methyl-2-(3-phenylprop-2-enoxy)benzaldehyde?
The InChIKey is JNGBNQJPELIFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-14-9-10-17(16(12-14)13-18)19-11-5-8-15-6-3-2-4-7-15/h2-10,12-13H,11H2,1H3.
What are the key properties of 5-methyl-2-(3-phenylprop-2-enoxy)benzaldehyde?
5-methyl-2-(3-phenylprop-2-enoxy)benzaldehyde has a molecular weight of 252.31 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-phenylprop-2-enoxy)benzaldehyde is sourced from PubChem (CID 77011403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).