4-(5-(125I)iodo-1-benzofuran-2-yl)(125I)phenol

C14H9IO2 — CID 71460869

IUPAC4-(5-(125I)iodo-1-benzofuran-2-yl)(125I)phenol
SMILESOc1ccc(-c2cc3cc([125I])ccc3o2)cc1
InChIInChI=1S/C14H9IO2/c15-11-3-6-13-10(7-11)8-14(17-13)9-1-4-12(16)5-2-9/h1-8,16H/i15-2
InChIKeyCKHVLIPNLNMQRR-VLPIPSKASA-N
MW334.13 g/mol
LogP4.41
Rot. Bonds1

About 4-(5-(125I)iodo-1-benzofuran-2-yl)(125I)phenol

4-(5-(125I)iodo-1-benzofuran-2-yl)(125I)phenol (PubChem CID 71460869) has the molecular formula C14H9IO2 and a molecular weight of 334.13 g/mol. Its IUPAC name is 4-(5-(125I)iodo-1-benzofuran-2-yl)(125I)phenol.

Molecular Properties

Compound Name4-(5-(125I)iodo-1-benzofuran-2-yl)(125I)phenol
PubChem CID71460869
Molecular FormulaC14H9IO2
Molecular Weight334.13 g/mol
Exact Mass333.96
IUPAC Name4-(5-(125I)iodo-1-benzofuran-2-yl)(125I)phenol
SMILESOc1ccc(-c2cc3cc([125I])ccc3o2)cc1
InChIInChI=1S/C14H9IO2/c15-11-3-6-13-10(7-11)8-14(17-13)9-1-4-12(16)5-2-9/h1-8,16H/i15-2
InChIKeyCKHVLIPNLNMQRR-VLPIPSKASA-N
XLogP4.41
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.13
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(5-(125I)iodo-1-benzofuran-2-yl)(125I)phenol?
The IUPAC name of 4-(5-(125I)iodo-1-benzofuran-2-yl)(125I)phenol (CID 71460869) is 4-(5-(125I)iodo-1-benzofuran-2-yl)(125I)phenol.
What is the SMILES notation for 4-(5-(125I)iodo-1-benzofuran-2-yl)(125I)phenol?
The canonical SMILES for 4-(5-(125I)iodo-1-benzofuran-2-yl)(125I)phenol is Oc1ccc(-c2cc3cc([125I])ccc3o2)cc1.
What is the InChIKey of 4-(5-(125I)iodo-1-benzofuran-2-yl)(125I)phenol?
The InChIKey is CKHVLIPNLNMQRR-VLPIPSKASA-N. The full InChI is InChI=1S/C14H9IO2/c15-11-3-6-13-10(7-11)8-14(17-13)9-1-4-12(16)5-2-9/h1-8,16H/i15-2.
What are the key properties of 4-(5-(125I)iodo-1-benzofuran-2-yl)(125I)phenol?
4-(5-(125I)iodo-1-benzofuran-2-yl)(125I)phenol has a molecular weight of 334.13 g/mol, XLogP of 4.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-(125I)iodo-1-benzofuran-2-yl)(125I)phenol is sourced from PubChem (CID 71460869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).