4-(4-chlorophenyl)furan-2-carbaldehyde

C11H7ClO2 — CID 71424930

IUPAC4-(4-chlorophenyl)furan-2-carbaldehyde
SMILESO=Cc1cc(-c2ccc(Cl)cc2)co1
InChIInChI=1S/C11H7ClO2/c12-10-3-1-8(2-4-10)9-5-11(6-13)14-7-9/h1-7H
InChIKeySKJGKUIGBCWWMU-UHFFFAOYSA-N
MW206.63 g/mol
LogP3.41
Rot. Bonds2

About 4-(4-chlorophenyl)furan-2-carbaldehyde

4-(4-chlorophenyl)furan-2-carbaldehyde (PubChem CID 71424930) has the molecular formula C11H7ClO2 and a molecular weight of 206.63 g/mol. Its IUPAC name is 4-(4-chlorophenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name4-(4-chlorophenyl)furan-2-carbaldehyde
PubChem CID71424930
Molecular FormulaC11H7ClO2
Molecular Weight206.63 g/mol
Exact Mass206.01
IUPAC Name4-(4-chlorophenyl)furan-2-carbaldehyde
SMILESO=Cc1cc(-c2ccc(Cl)cc2)co1
InChIInChI=1S/C11H7ClO2/c12-10-3-1-8(2-4-10)9-5-11(6-13)14-7-9/h1-7H
InChIKeySKJGKUIGBCWWMU-UHFFFAOYSA-N
XLogP3.41
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.63
LogP ≤ 53.41
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 4-(4-chlorophenyl)furan-2-carbaldehyde?
The IUPAC name of 4-(4-chlorophenyl)furan-2-carbaldehyde (CID 71424930) is 4-(4-chlorophenyl)furan-2-carbaldehyde.
What is the SMILES notation for 4-(4-chlorophenyl)furan-2-carbaldehyde?
The canonical SMILES for 4-(4-chlorophenyl)furan-2-carbaldehyde is O=Cc1cc(-c2ccc(Cl)cc2)co1.
What is the InChIKey of 4-(4-chlorophenyl)furan-2-carbaldehyde?
The InChIKey is SKJGKUIGBCWWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClO2/c12-10-3-1-8(2-4-10)9-5-11(6-13)14-7-9/h1-7H.
What are the key properties of 4-(4-chlorophenyl)furan-2-carbaldehyde?
4-(4-chlorophenyl)furan-2-carbaldehyde has a molecular weight of 206.63 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)furan-2-carbaldehyde is sourced from PubChem (CID 71424930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).