4-phenyliodanuidylphenol

C12H10IO- — CID 59710705

IUPAC4-phenyliodanuidylphenol
SMILESOc1ccc([I-]c2ccccc2)cc1
InChIInChI=1S/C12H10IO/c14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,14H/q-1
InChIKeyYMRNJKBNTGPUSQ-UHFFFAOYSA-N
MW297.12 g/mol
LogP-0.48
Rot. Bonds2

About 4-phenyliodanuidylphenol

4-phenyliodanuidylphenol (PubChem CID 59710705) has the molecular formula C12H10IO- and a molecular weight of 297.12 g/mol. Its IUPAC name is 4-phenyliodanuidylphenol.

Molecular Properties

Compound Name4-phenyliodanuidylphenol
PubChem CID59710705
Molecular FormulaC12H10IO-
Molecular Weight297.12 g/mol
Exact Mass296.98
IUPAC Name4-phenyliodanuidylphenol
SMILESOc1ccc([I-]c2ccccc2)cc1
InChIInChI=1S/C12H10IO/c14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,14H/q-1
InChIKeyYMRNJKBNTGPUSQ-UHFFFAOYSA-N
XLogP-0.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.12
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
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-phenyliodanuidylphenol?
The IUPAC name of 4-phenyliodanuidylphenol (CID 59710705) is 4-phenyliodanuidylphenol.
What is the SMILES notation for 4-phenyliodanuidylphenol?
The canonical SMILES for 4-phenyliodanuidylphenol is Oc1ccc([I-]c2ccccc2)cc1.
What is the InChIKey of 4-phenyliodanuidylphenol?
The InChIKey is YMRNJKBNTGPUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10IO/c14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,14H/q-1.
What are the key properties of 4-phenyliodanuidylphenol?
4-phenyliodanuidylphenol has a molecular weight of 297.12 g/mol, XLogP of -0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyliodanuidylphenol is sourced from PubChem (CID 59710705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).