3-phenylprop-2-enal

C9H8O — CID 307

IUPAC3-phenylprop-2-enal
SMILESO=CC=Cc1ccccc1
InChIInChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H
InChIKeyKJPRLNWUNMBNBZ-UHFFFAOYSA-N
MW132.16 g/mol
LogP1.90
Rot. Bonds2

About 3-phenylprop-2-enal

3-phenylprop-2-enal (PubChem CID 307) has the molecular formula C9H8O and a molecular weight of 132.16 g/mol. Its IUPAC name is 3-phenylprop-2-enal.

Molecular Properties

Compound Name3-phenylprop-2-enal
PubChem CID307
Molecular FormulaC9H8O
Molecular Weight132.16 g/mol
Exact Mass132.06
IUPAC Name3-phenylprop-2-enal
SMILESO=CC=Cc1ccccc1
InChIInChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H
InChIKeyKJPRLNWUNMBNBZ-UHFFFAOYSA-N
XLogP1.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-phenylprop-2-enal?
The IUPAC name of 3-phenylprop-2-enal (CID 307) is 3-phenylprop-2-enal.
What is the SMILES notation for 3-phenylprop-2-enal?
The canonical SMILES for 3-phenylprop-2-enal is O=CC=Cc1ccccc1.
What is the InChIKey of 3-phenylprop-2-enal?
The InChIKey is KJPRLNWUNMBNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H.
What are the key properties of 3-phenylprop-2-enal?
3-phenylprop-2-enal has a molecular weight of 132.16 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylprop-2-enal is sourced from PubChem (CID 307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).