4,7-diiodo-5-phenyl-1,3-dihydro-2-benzofuran

C14H10I2O — CID 102386552

IUPAC4,7-diiodo-5-phenyl-1,3-dihydro-2-benzofuran
SMILESIc1cc(-c2ccccc2)c(I)c2c1COC2
InChIInChI=1S/C14H10I2O/c15-13-6-10(9-4-2-1-3-5-9)14(16)12-8-17-7-11(12)13/h1-6H,7-8H2
InChIKeyGJBLQGWWSLTAKC-UHFFFAOYSA-N
MW448.04 g/mol
LogP4.59
Rot. Bonds1

About 4,7-diiodo-5-phenyl-1,3-dihydro-2-benzofuran

4,7-diiodo-5-phenyl-1,3-dihydro-2-benzofuran (PubChem CID 102386552) has the molecular formula C14H10I2O and a molecular weight of 448.04 g/mol. Its IUPAC name is 4,7-diiodo-5-phenyl-1,3-dihydro-2-benzofuran.

Molecular Properties

Compound Name4,7-diiodo-5-phenyl-1,3-dihydro-2-benzofuran
PubChem CID102386552
Molecular FormulaC14H10I2O
Molecular Weight448.04 g/mol
Exact Mass447.88
IUPAC Name4,7-diiodo-5-phenyl-1,3-dihydro-2-benzofuran
SMILESIc1cc(-c2ccccc2)c(I)c2c1COC2
InChIInChI=1S/C14H10I2O/c15-13-6-10(9-4-2-1-3-5-9)14(16)12-8-17-7-11(12)13/h1-6H,7-8H2
InChIKeyGJBLQGWWSLTAKC-UHFFFAOYSA-N
XLogP4.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.04
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,7-diiodo-5-phenyl-1,3-dihydro-2-benzofuran?
The IUPAC name of 4,7-diiodo-5-phenyl-1,3-dihydro-2-benzofuran (CID 102386552) is 4,7-diiodo-5-phenyl-1,3-dihydro-2-benzofuran.
What is the SMILES notation for 4,7-diiodo-5-phenyl-1,3-dihydro-2-benzofuran?
The canonical SMILES for 4,7-diiodo-5-phenyl-1,3-dihydro-2-benzofuran is Ic1cc(-c2ccccc2)c(I)c2c1COC2.
What is the InChIKey of 4,7-diiodo-5-phenyl-1,3-dihydro-2-benzofuran?
The InChIKey is GJBLQGWWSLTAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10I2O/c15-13-6-10(9-4-2-1-3-5-9)14(16)12-8-17-7-11(12)13/h1-6H,7-8H2.
What are the key properties of 4,7-diiodo-5-phenyl-1,3-dihydro-2-benzofuran?
4,7-diiodo-5-phenyl-1,3-dihydro-2-benzofuran has a molecular weight of 448.04 g/mol, XLogP of 4.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-diiodo-5-phenyl-1,3-dihydro-2-benzofuran is sourced from PubChem (CID 102386552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).