5-(4-propylsulfanylphenyl)furan-2-carbaldehyde

C14H14O2S — CID 169333150

IUPAC5-(4-propylsulfanylphenyl)furan-2-carbaldehyde
SMILESCCCSc1ccc(-c2ccc(C=O)o2)cc1
InChIInChI=1S/C14H14O2S/c1-2-9-17-13-6-3-11(4-7-13)14-8-5-12(10-15)16-14/h3-8,10H,2,9H2,1H3
InChIKeyUJKQYHOCKZNBEQ-UHFFFAOYSA-N
MW246.33 g/mol
LogP4.26
Rot. Bonds5

About 5-(4-propylsulfanylphenyl)furan-2-carbaldehyde

5-(4-propylsulfanylphenyl)furan-2-carbaldehyde (PubChem CID 169333150) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is 5-(4-propylsulfanylphenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(4-propylsulfanylphenyl)furan-2-carbaldehyde
PubChem CID169333150
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Name5-(4-propylsulfanylphenyl)furan-2-carbaldehyde
SMILESCCCSc1ccc(-c2ccc(C=O)o2)cc1
InChIInChI=1S/C14H14O2S/c1-2-9-17-13-6-3-11(4-7-13)14-8-5-12(10-15)16-14/h3-8,10H,2,9H2,1H3
InChIKeyUJKQYHOCKZNBEQ-UHFFFAOYSA-N
XLogP4.26
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(4-propylsulfanylphenyl)furan-2-carbaldehyde?
The IUPAC name of 5-(4-propylsulfanylphenyl)furan-2-carbaldehyde (CID 169333150) is 5-(4-propylsulfanylphenyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(4-propylsulfanylphenyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(4-propylsulfanylphenyl)furan-2-carbaldehyde is CCCSc1ccc(-c2ccc(C=O)o2)cc1.
What is the InChIKey of 5-(4-propylsulfanylphenyl)furan-2-carbaldehyde?
The InChIKey is UJKQYHOCKZNBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S/c1-2-9-17-13-6-3-11(4-7-13)14-8-5-12(10-15)16-14/h3-8,10H,2,9H2,1H3.
What are the key properties of 5-(4-propylsulfanylphenyl)furan-2-carbaldehyde?
5-(4-propylsulfanylphenyl)furan-2-carbaldehyde has a molecular weight of 246.33 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propylsulfanylphenyl)furan-2-carbaldehyde is sourced from PubChem (CID 169333150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).