(4-iodophenoxy)phosphane

C6H6IOP — CID 58914668

IUPAC(4-iodophenoxy)phosphane
SMILESPOc1ccc(I)cc1
InChIInChI=1S/C6H6IOP/c7-5-1-3-6(8-9)4-2-5/h1-4H,9H2
InChIKeyLDDBGBZRKRDYMN-UHFFFAOYSA-N
MW251.99 g/mol
LogP2.46
Rot. Bonds1

About (4-iodophenoxy)phosphane

(4-iodophenoxy)phosphane (PubChem CID 58914668) has the molecular formula C6H6IOP and a molecular weight of 251.99 g/mol. Its IUPAC name is (4-iodophenoxy)phosphane.

Molecular Properties

Compound Name(4-iodophenoxy)phosphane
PubChem CID58914668
Molecular FormulaC6H6IOP
Molecular Weight251.99 g/mol
Exact Mass251.92
IUPAC Name(4-iodophenoxy)phosphane
SMILESPOc1ccc(I)cc1
InChIInChI=1S/C6H6IOP/c7-5-1-3-6(8-9)4-2-5/h1-4H,9H2
InChIKeyLDDBGBZRKRDYMN-UHFFFAOYSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.99
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-iodophenoxy)phosphane?
The IUPAC name of (4-iodophenoxy)phosphane (CID 58914668) is (4-iodophenoxy)phosphane.
What is the SMILES notation for (4-iodophenoxy)phosphane?
The canonical SMILES for (4-iodophenoxy)phosphane is POc1ccc(I)cc1.
What is the InChIKey of (4-iodophenoxy)phosphane?
The InChIKey is LDDBGBZRKRDYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6IOP/c7-5-1-3-6(8-9)4-2-5/h1-4H,9H2.
What are the key properties of (4-iodophenoxy)phosphane?
(4-iodophenoxy)phosphane has a molecular weight of 251.99 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-iodophenoxy)phosphane is sourced from PubChem (CID 58914668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).