2-[3-(1-phenylethenyl)phenyl]propanal

C17H16O — CID 14423576

IUPAC2-[3-(1-phenylethenyl)phenyl]propanal
SMILESC=C(c1ccccc1)c1cccc(C(C)C=O)c1
InChIInChI=1S/C17H16O/c1-13(12-18)16-9-6-10-17(11-16)14(2)15-7-4-3-5-8-15/h3-13H,2H2,1H3
InChIKeyAAYMEQGQJDLAED-UHFFFAOYSA-N
MW236.31 g/mol
LogP4.05
Rot. Bonds4

About 2-[3-(1-phenylethenyl)phenyl]propanal

2-[3-(1-phenylethenyl)phenyl]propanal (PubChem CID 14423576) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[3-(1-phenylethenyl)phenyl]propanal.

Molecular Properties

Compound Name2-[3-(1-phenylethenyl)phenyl]propanal
PubChem CID14423576
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name2-[3-(1-phenylethenyl)phenyl]propanal
SMILESC=C(c1ccccc1)c1cccc(C(C)C=O)c1
InChIInChI=1S/C17H16O/c1-13(12-18)16-9-6-10-17(11-16)14(2)15-7-4-3-5-8-15/h3-13H,2H2,1H3
InChIKeyAAYMEQGQJDLAED-UHFFFAOYSA-N
XLogP4.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[3-(1-phenylethenyl)phenyl]propanal 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

tert-butyl 2-[3-(1-phenylethenyl)phenyl]propanoate
CID 15718586
2-(3-benzylphenyl)propanal
CID 14882415
(2R)-2-(3-phenoxyphenyl)propanal
CID 92977533
(2R)-2-(3-methylphenyl)propanal
CID 15372593
(2S)-2-(3-methylphenyl)propanal
CID 124547254
2-(3-fluorophenyl)propanal
CID 20610109
2-methyl-3-phenylbut-3-enal
CID 22151894
(2R)-N-[3-(dimethylamino)propyl]-2-[3-(1-phenylethenyl)phenyl]propanamide
CID 142164869
1-phenylethenylbenzene;hydrochloride
CID 70400725
potassium 1-phenylethenylbenzene
CID 19358731
1,1-dimethoxyethane;2-phenylpropanal
CID 87274023
2-[3-(2-methylpropyl)phenyl]propanal
CID 105444490

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-phenylethenyl)phenyl]propanal?
The IUPAC name of 2-[3-(1-phenylethenyl)phenyl]propanal (CID 14423576) is 2-[3-(1-phenylethenyl)phenyl]propanal.
What is the SMILES notation for 2-[3-(1-phenylethenyl)phenyl]propanal?
The canonical SMILES for 2-[3-(1-phenylethenyl)phenyl]propanal is C=C(c1ccccc1)c1cccc(C(C)C=O)c1.
What is the InChIKey of 2-[3-(1-phenylethenyl)phenyl]propanal?
The InChIKey is AAYMEQGQJDLAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O/c1-13(12-18)16-9-6-10-17(11-16)14(2)15-7-4-3-5-8-15/h3-13H,2H2,1H3.
What are the key properties of 2-[3-(1-phenylethenyl)phenyl]propanal?
2-[3-(1-phenylethenyl)phenyl]propanal has a molecular weight of 236.31 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-phenylethenyl)phenyl]propanal is sourced from PubChem (CID 14423576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).