5-(3,4-dichlorophenyl)furan-2-carbaldehyde

C11H6Cl2O2 — CID 617688

IUPAC5-(3,4-dichlorophenyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C11H6Cl2O2/c12-9-3-1-7(5-10(9)13)11-4-2-8(6-14)15-11/h1-6H
InChIKeyPSQLTDROSWBPGT-UHFFFAOYSA-N
MW241.07 g/mol
LogP4.07
Rot. Bonds2

About 5-(3,4-dichlorophenyl)furan-2-carbaldehyde

5-(3,4-dichlorophenyl)furan-2-carbaldehyde (PubChem CID 617688) has the molecular formula C11H6Cl2O2 and a molecular weight of 241.07 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)furan-2-carbaldehyde
PubChem CID617688
Molecular FormulaC11H6Cl2O2
Molecular Weight241.07 g/mol
Exact Mass239.97
IUPAC Name5-(3,4-dichlorophenyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C11H6Cl2O2/c12-9-3-1-7(5-10(9)13)11-4-2-8(6-14)15-11/h1-6H
InChIKeyPSQLTDROSWBPGT-UHFFFAOYSA-N
XLogP4.07
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.07
LogP ≤ 54.07
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-(3,4-dichlorophenyl)furan-2-carbaldehyde?
The IUPAC name of 5-(3,4-dichlorophenyl)furan-2-carbaldehyde (CID 617688) is 5-(3,4-dichlorophenyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(3,4-dichlorophenyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(3,4-dichlorophenyl)furan-2-carbaldehyde is O=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1.
What is the InChIKey of 5-(3,4-dichlorophenyl)furan-2-carbaldehyde?
The InChIKey is PSQLTDROSWBPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2O2/c12-9-3-1-7(5-10(9)13)11-4-2-8(6-14)15-11/h1-6H.
What are the key properties of 5-(3,4-dichlorophenyl)furan-2-carbaldehyde?
5-(3,4-dichlorophenyl)furan-2-carbaldehyde has a molecular weight of 241.07 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)furan-2-carbaldehyde is sourced from PubChem (CID 617688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).