2-(3-benzylphenyl)propanal

C16H16O — CID 14882415

IUPAC2-(3-benzylphenyl)propanal
SMILESCC(C=O)c1cccc(Cc2ccccc2)c1
InChIInChI=1S/C16H16O/c1-13(12-17)16-9-5-8-15(11-16)10-14-6-3-2-4-7-14/h2-9,11-13H,10H2,1H3
InChIKeyUPRGYKROJNAUQX-UHFFFAOYSA-N
MW224.30 g/mol
LogP3.58
Rot. Bonds4

About 2-(3-benzylphenyl)propanal

2-(3-benzylphenyl)propanal (PubChem CID 14882415) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-(3-benzylphenyl)propanal.

Molecular Properties

Compound Name2-(3-benzylphenyl)propanal
PubChem CID14882415
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name2-(3-benzylphenyl)propanal
SMILESCC(C=O)c1cccc(Cc2ccccc2)c1
InChIInChI=1S/C16H16O/c1-13(12-17)16-9-5-8-15(11-16)10-14-6-3-2-4-7-14/h2-9,11-13H,10H2,1H3
InChIKeyUPRGYKROJNAUQX-UHFFFAOYSA-N
XLogP3.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-methylpropyl)phenyl]propanal
CID 105444490
2-(3-propylphenyl)propanal
CID 105436614
1-(3-benzylphenyl)ethanamine
CID 69109207
1-benzyl-3-butan-2-ylbenzene
CID 15748559
(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-[3-(1-phenylethenyl)phenyl]propanal
CID 14423576
4-[(3-propan-2-ylphenyl)methyl]aniline
CID 123873947
1,3,5-tris[[3-[(3-benzylphenyl)methyl]phenyl]methyl]benzene
CID 100946405
1,1-dimethoxyethane;2-phenylpropanal
CID 87274023

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzylphenyl)propanal?
The IUPAC name of 2-(3-benzylphenyl)propanal (CID 14882415) is 2-(3-benzylphenyl)propanal.
What is the SMILES notation for 2-(3-benzylphenyl)propanal?
The canonical SMILES for 2-(3-benzylphenyl)propanal is CC(C=O)c1cccc(Cc2ccccc2)c1.
What is the InChIKey of 2-(3-benzylphenyl)propanal?
The InChIKey is UPRGYKROJNAUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O/c1-13(12-17)16-9-5-8-15(11-16)10-14-6-3-2-4-7-14/h2-9,11-13H,10H2,1H3.
What are the key properties of 2-(3-benzylphenyl)propanal?
2-(3-benzylphenyl)propanal has a molecular weight of 224.30 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzylphenyl)propanal is sourced from PubChem (CID 14882415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).