5-(3-iodo-4-methylphenyl)furan-2-carbaldehyde

C12H9IO2 — CID 130498195

IUPAC5-(3-iodo-4-methylphenyl)furan-2-carbaldehyde
SMILESCc1ccc(-c2ccc(C=O)o2)cc1I
InChIInChI=1S/C12H9IO2/c1-8-2-3-9(6-11(8)13)12-5-4-10(7-14)15-12/h2-7H,1H3
InChIKeyWDYLLBXTZSMMNH-UHFFFAOYSA-N
MW312.11 g/mol
LogP3.67
Rot. Bonds2

About 5-(3-iodo-4-methylphenyl)furan-2-carbaldehyde

5-(3-iodo-4-methylphenyl)furan-2-carbaldehyde (PubChem CID 130498195) has the molecular formula C12H9IO2 and a molecular weight of 312.11 g/mol. Its IUPAC name is 5-(3-iodo-4-methylphenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(3-iodo-4-methylphenyl)furan-2-carbaldehyde
PubChem CID130498195
Molecular FormulaC12H9IO2
Molecular Weight312.11 g/mol
Exact Mass311.96
IUPAC Name5-(3-iodo-4-methylphenyl)furan-2-carbaldehyde
SMILESCc1ccc(-c2ccc(C=O)o2)cc1I
InChIInChI=1S/C12H9IO2/c1-8-2-3-9(6-11(8)13)12-5-4-10(7-14)15-12/h2-7H,1H3
InChIKeyWDYLLBXTZSMMNH-UHFFFAOYSA-N
XLogP3.67
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.11
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-(3-iodo-4-methoxyphenyl)furan-2-carbaldehyde
CID 169331838
5-[3-(3-fluoro-4-methylphenyl)phenyl]furan-2-carbaldehyde
CID 169332976
5-(5-formylfuran-2-yl)-N,N,2-trimethylbenzenesulfonamide
CID 169335264
5-(2,3-dimethylindazol-5-yl)furan-2-carbaldehyde
CID 169335056
5-(4-formylphenyl)furan-2-carbaldehyde
CID 7183276
N-[4-(5-formylfuran-2-yl)-2-methylphenyl]benzamide
CID 169334090
5-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]furan-2-carbaldehyde
CID 169333455
5-(2,4,5-trimethylphenyl)furan-2-carbaldehyde
CID 106886507
5-(4-tert-butylphenyl)furan-2-carbaldehyde
CID 22566716
5-(3-bromo-4-ethylphenyl)furan-2-carbaldehyde
CID 169333111
5-(4-sulfanylphenyl)furan-2-carbaldehyde
CID 169336212
5-(4-bromophenyl)furan-2-carbaldehyde
CID 619577

Frequently Asked Questions

What is the IUPAC name of 5-(3-iodo-4-methylphenyl)furan-2-carbaldehyde?
The IUPAC name of 5-(3-iodo-4-methylphenyl)furan-2-carbaldehyde (CID 130498195) is 5-(3-iodo-4-methylphenyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(3-iodo-4-methylphenyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(3-iodo-4-methylphenyl)furan-2-carbaldehyde is Cc1ccc(-c2ccc(C=O)o2)cc1I.
What is the InChIKey of 5-(3-iodo-4-methylphenyl)furan-2-carbaldehyde?
The InChIKey is WDYLLBXTZSMMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9IO2/c1-8-2-3-9(6-11(8)13)12-5-4-10(7-14)15-12/h2-7H,1H3.
What are the key properties of 5-(3-iodo-4-methylphenyl)furan-2-carbaldehyde?
5-(3-iodo-4-methylphenyl)furan-2-carbaldehyde has a molecular weight of 312.11 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-iodo-4-methylphenyl)furan-2-carbaldehyde is sourced from PubChem (CID 130498195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).