5-(3-chloro-2-methylphenyl)furan-2-carbaldehyde

C12H9ClO2 — CID 700305

IUPAC5-(3-chloro-2-methylphenyl)furan-2-carbaldehyde
SMILESCc1c(Cl)cccc1-c1ccc(C=O)o1
InChIInChI=1S/C12H9ClO2/c1-8-10(3-2-4-11(8)13)12-6-5-9(7-14)15-12/h2-7H,1H3
InChIKeyWVIQFOCEIZPVHZ-UHFFFAOYSA-N
MW220.66 g/mol
LogP3.72
Rot. Bonds2

About 5-(3-chloro-2-methylphenyl)furan-2-carbaldehyde

5-(3-chloro-2-methylphenyl)furan-2-carbaldehyde (PubChem CID 700305) has the molecular formula C12H9ClO2 and a molecular weight of 220.66 g/mol. Its IUPAC name is 5-(3-chloro-2-methylphenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(3-chloro-2-methylphenyl)furan-2-carbaldehyde
PubChem CID700305
Molecular FormulaC12H9ClO2
Molecular Weight220.66 g/mol
Exact Mass220.03
IUPAC Name5-(3-chloro-2-methylphenyl)furan-2-carbaldehyde
SMILESCc1c(Cl)cccc1-c1ccc(C=O)o1
InChIInChI=1S/C12H9ClO2/c1-8-10(3-2-4-11(8)13)12-6-5-9(7-14)15-12/h2-7H,1H3
InChIKeyWVIQFOCEIZPVHZ-UHFFFAOYSA-N
XLogP3.72
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 53.72
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-chloro-2-methylphenyl)furan-2-carbaldehyde?
The IUPAC name of 5-(3-chloro-2-methylphenyl)furan-2-carbaldehyde (CID 700305) is 5-(3-chloro-2-methylphenyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(3-chloro-2-methylphenyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(3-chloro-2-methylphenyl)furan-2-carbaldehyde is Cc1c(Cl)cccc1-c1ccc(C=O)o1.
What is the InChIKey of 5-(3-chloro-2-methylphenyl)furan-2-carbaldehyde?
The InChIKey is WVIQFOCEIZPVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClO2/c1-8-10(3-2-4-11(8)13)12-6-5-9(7-14)15-12/h2-7H,1H3.
What are the key properties of 5-(3-chloro-2-methylphenyl)furan-2-carbaldehyde?
5-(3-chloro-2-methylphenyl)furan-2-carbaldehyde has a molecular weight of 220.66 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-methylphenyl)furan-2-carbaldehyde is sourced from PubChem (CID 700305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).