3-(4-chlorophenyl)selanylprop-2-enal

C9H7ClOSe — CID 71403897

IUPAC3-(4-chlorophenyl)selanylprop-2-enal
SMILESO=CC=C[Se]c1ccc(Cl)cc1
InChIInChI=1S/C9H7ClOSe/c10-8-2-4-9(5-3-8)12-7-1-6-11/h1-7H
InChIKeyRLDIUKDLWQPESM-UHFFFAOYSA-N
MW245.57 g/mol
LogP1.38
Rot. Bonds3

About 3-(4-chlorophenyl)selanylprop-2-enal

3-(4-chlorophenyl)selanylprop-2-enal (PubChem CID 71403897) has the molecular formula C9H7ClOSe and a molecular weight of 245.57 g/mol. Its IUPAC name is 3-(4-chlorophenyl)selanylprop-2-enal.

Molecular Properties

Compound Name3-(4-chlorophenyl)selanylprop-2-enal
PubChem CID71403897
Molecular FormulaC9H7ClOSe
Molecular Weight245.57 g/mol
Exact Mass245.94
IUPAC Name3-(4-chlorophenyl)selanylprop-2-enal
SMILESO=CC=C[Se]c1ccc(Cl)cc1
InChIInChI=1S/C9H7ClOSe/c10-8-2-4-9(5-3-8)12-7-1-6-11/h1-7H
InChIKeyRLDIUKDLWQPESM-UHFFFAOYSA-N
XLogP1.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.57
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', '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-(4-chlorophenyl)selanylprop-2-enal?
The IUPAC name of 3-(4-chlorophenyl)selanylprop-2-enal (CID 71403897) is 3-(4-chlorophenyl)selanylprop-2-enal.
What is the SMILES notation for 3-(4-chlorophenyl)selanylprop-2-enal?
The canonical SMILES for 3-(4-chlorophenyl)selanylprop-2-enal is O=CC=C[Se]c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)selanylprop-2-enal?
The InChIKey is RLDIUKDLWQPESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClOSe/c10-8-2-4-9(5-3-8)12-7-1-6-11/h1-7H.
What are the key properties of 3-(4-chlorophenyl)selanylprop-2-enal?
3-(4-chlorophenyl)selanylprop-2-enal has a molecular weight of 245.57 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)selanylprop-2-enal is sourced from PubChem (CID 71403897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).