5-[2-(4-chlorophenyl)ethenyl]furan-2-carbaldehyde

C13H9ClO2 — CID 57074211

IUPAC5-[2-(4-chlorophenyl)ethenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(C=Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C13H9ClO2/c14-11-4-1-10(2-5-11)3-6-12-7-8-13(9-15)16-12/h1-9H
InChIKeyDTNHTLMXTGSHFJ-UHFFFAOYSA-N
MW232.67 g/mol
LogP3.92
Rot. Bonds3

About 5-[2-(4-chlorophenyl)ethenyl]furan-2-carbaldehyde

5-[2-(4-chlorophenyl)ethenyl]furan-2-carbaldehyde (PubChem CID 57074211) has the molecular formula C13H9ClO2 and a molecular weight of 232.67 g/mol. Its IUPAC name is 5-[2-(4-chlorophenyl)ethenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[2-(4-chlorophenyl)ethenyl]furan-2-carbaldehyde
PubChem CID57074211
Molecular FormulaC13H9ClO2
Molecular Weight232.67 g/mol
Exact Mass232.03
IUPAC Name5-[2-(4-chlorophenyl)ethenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(C=Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C13H9ClO2/c14-11-4-1-10(2-5-11)3-6-12-7-8-13(9-15)16-12/h1-9H
InChIKeyDTNHTLMXTGSHFJ-UHFFFAOYSA-N
XLogP3.92
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-chlorophenyl)ethenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[2-(4-chlorophenyl)ethenyl]furan-2-carbaldehyde (CID 57074211) is 5-[2-(4-chlorophenyl)ethenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[2-(4-chlorophenyl)ethenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[2-(4-chlorophenyl)ethenyl]furan-2-carbaldehyde is O=Cc1ccc(C=Cc2ccc(Cl)cc2)o1.
What is the InChIKey of 5-[2-(4-chlorophenyl)ethenyl]furan-2-carbaldehyde?
The InChIKey is DTNHTLMXTGSHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClO2/c14-11-4-1-10(2-5-11)3-6-12-7-8-13(9-15)16-12/h1-9H.
What are the key properties of 5-[2-(4-chlorophenyl)ethenyl]furan-2-carbaldehyde?
5-[2-(4-chlorophenyl)ethenyl]furan-2-carbaldehyde has a molecular weight of 232.67 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chlorophenyl)ethenyl]furan-2-carbaldehyde is sourced from PubChem (CID 57074211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).