3-[2-(iodomethyl)phenyl]furan

C11H9IO — CID 146186598

IUPAC3-[2-(iodomethyl)phenyl]furan
SMILESICc1ccccc1-c1ccoc1
InChIInChI=1S/C11H9IO/c12-7-9-3-1-2-4-11(9)10-5-6-13-8-10/h1-6,8H,7H2
InChIKeyYKNWTAPQOGKGTI-UHFFFAOYSA-N
MW284.10 g/mol
LogP3.88
Rot. Bonds2

About 3-[2-(iodomethyl)phenyl]furan

3-[2-(iodomethyl)phenyl]furan (PubChem CID 146186598) has the molecular formula C11H9IO and a molecular weight of 284.10 g/mol. Its IUPAC name is 3-[2-(iodomethyl)phenyl]furan.

Molecular Properties

Compound Name3-[2-(iodomethyl)phenyl]furan
PubChem CID146186598
Molecular FormulaC11H9IO
Molecular Weight284.10 g/mol
Exact Mass283.97
IUPAC Name3-[2-(iodomethyl)phenyl]furan
SMILESICc1ccccc1-c1ccoc1
InChIInChI=1S/C11H9IO/c12-7-9-3-1-2-4-11(9)10-5-6-13-8-10/h1-6,8H,7H2
InChIKeyYKNWTAPQOGKGTI-UHFFFAOYSA-N
XLogP3.88
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.10
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(iodomethyl)phenyl]furan?
The IUPAC name of 3-[2-(iodomethyl)phenyl]furan (CID 146186598) is 3-[2-(iodomethyl)phenyl]furan.
What is the SMILES notation for 3-[2-(iodomethyl)phenyl]furan?
The canonical SMILES for 3-[2-(iodomethyl)phenyl]furan is ICc1ccccc1-c1ccoc1.
What is the InChIKey of 3-[2-(iodomethyl)phenyl]furan?
The InChIKey is YKNWTAPQOGKGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9IO/c12-7-9-3-1-2-4-11(9)10-5-6-13-8-10/h1-6,8H,7H2.
What are the key properties of 3-[2-(iodomethyl)phenyl]furan?
3-[2-(iodomethyl)phenyl]furan has a molecular weight of 284.10 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(iodomethyl)phenyl]furan is sourced from PubChem (CID 146186598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).