3-(3-chloro-4-methylphenyl)furan-2-carbaldehyde

C12H9ClO2 — CID 106886583

IUPAC3-(3-chloro-4-methylphenyl)furan-2-carbaldehyde
SMILESCc1ccc(-c2ccoc2C=O)cc1Cl
InChIInChI=1S/C12H9ClO2/c1-8-2-3-9(6-11(8)13)10-4-5-15-12(10)7-14/h2-7H,1H3
InChIKeyLNOHYCVCKQHMIS-UHFFFAOYSA-N
MW220.66 g/mol
LogP3.72
Rot. Bonds2

About 3-(3-chloro-4-methylphenyl)furan-2-carbaldehyde

3-(3-chloro-4-methylphenyl)furan-2-carbaldehyde (PubChem CID 106886583) has the molecular formula C12H9ClO2 and a molecular weight of 220.66 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name3-(3-chloro-4-methylphenyl)furan-2-carbaldehyde
PubChem CID106886583
Molecular FormulaC12H9ClO2
Molecular Weight220.66 g/mol
Exact Mass220.03
IUPAC Name3-(3-chloro-4-methylphenyl)furan-2-carbaldehyde
SMILESCc1ccc(-c2ccoc2C=O)cc1Cl
InChIInChI=1S/C12H9ClO2/c1-8-2-3-9(6-11(8)13)10-4-5-15-12(10)7-14/h2-7H,1H3
InChIKeyLNOHYCVCKQHMIS-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 3-(3-chloro-4-methylphenyl)furan-2-carbaldehyde?
The IUPAC name of 3-(3-chloro-4-methylphenyl)furan-2-carbaldehyde (CID 106886583) is 3-(3-chloro-4-methylphenyl)furan-2-carbaldehyde.
What is the SMILES notation for 3-(3-chloro-4-methylphenyl)furan-2-carbaldehyde?
The canonical SMILES for 3-(3-chloro-4-methylphenyl)furan-2-carbaldehyde is Cc1ccc(-c2ccoc2C=O)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methylphenyl)furan-2-carbaldehyde?
The InChIKey is LNOHYCVCKQHMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClO2/c1-8-2-3-9(6-11(8)13)10-4-5-15-12(10)7-14/h2-7H,1H3.
What are the key properties of 3-(3-chloro-4-methylphenyl)furan-2-carbaldehyde?
3-(3-chloro-4-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 3-(3-chloro-4-methylphenyl)furan-2-carbaldehyde is sourced from PubChem (CID 106886583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).