2-phenylpropanal

C9H10O — CID 7146

IUPAC2-phenylpropanal
SMILESCC(C=O)c1ccccc1
InChIInChI=1S/C9H10O/c1-8(7-10)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyIQVAERDLDAZARL-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.99
Rot. Bonds2

About 2-phenylpropanal

2-phenylpropanal (PubChem CID 7146) has the molecular formula C9H10O and a molecular weight of 134.18 g/mol. Its IUPAC name is 2-phenylpropanal.

Molecular Properties

Compound Name2-phenylpropanal
PubChem CID7146
Molecular FormulaC9H10O
Molecular Weight134.18 g/mol
Exact Mass134.07
IUPAC Name2-phenylpropanal
SMILESCC(C=O)c1ccccc1
InChIInChI=1S/C9H10O/c1-8(7-10)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyIQVAERDLDAZARL-UHFFFAOYSA-N
XLogP1.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.99
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

Phenylacetaldehyde
CID 998
Lilial
CID 228987
Cyclamen aldehyde
CID 517827
4-Methylbenzaldehyde
CID 7725
alpha-Hexylcinnamaldehyde
CID 1550884
Benzenepropanal
CID 7707
2-Methylbenzaldehyde
CID 10722
Benzyl acetone
CID 17355
2-Benzylideneheptanal
CID 1712058
4-Ethylbenzaldehyde
CID 20861
Cuminaldehyde
CID 326
Phenylacetone
CID 7678

Frequently Asked Questions

What is the IUPAC name of 2-phenylpropanal?
The IUPAC name of 2-phenylpropanal (CID 7146) is 2-phenylpropanal.
What is the SMILES notation for 2-phenylpropanal?
The canonical SMILES for 2-phenylpropanal is CC(C=O)c1ccccc1.
What is the InChIKey of 2-phenylpropanal?
The InChIKey is IQVAERDLDAZARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O/c1-8(7-10)9-5-3-2-4-6-9/h2-8H,1H3.
What are the key properties of 2-phenylpropanal?
2-phenylpropanal has a molecular weight of 134.18 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylpropanal is sourced from PubChem (CID 7146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).