1-diethoxyphosphoryl-3-iodobenzene

C10H14IO3P — CID 18374549

IUPAC1-diethoxyphosphoryl-3-iodobenzene
SMILESCCOP(=O)(OCC)c1cccc(I)c1
InChIInChI=1S/C10H14IO3P/c1-3-13-15(12,14-4-2)10-7-5-6-9(11)8-10/h5-8H,3-4H2,1-2H3
InChIKeyJWKUWICGSWVKEP-UHFFFAOYSA-N
MW340.10 g/mol
LogP3.18
Rot. Bonds5

About 1-diethoxyphosphoryl-3-iodobenzene

1-diethoxyphosphoryl-3-iodobenzene (PubChem CID 18374549) has the molecular formula C10H14IO3P and a molecular weight of 340.10 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-3-iodobenzene.

Molecular Properties

Compound Name1-diethoxyphosphoryl-3-iodobenzene
PubChem CID18374549
Molecular FormulaC10H14IO3P
Molecular Weight340.10 g/mol
Exact Mass339.97
IUPAC Name1-diethoxyphosphoryl-3-iodobenzene
SMILESCCOP(=O)(OCC)c1cccc(I)c1
InChIInChI=1S/C10H14IO3P/c1-3-13-15(12,14-4-2)10-7-5-6-9(11)8-10/h5-8H,3-4H2,1-2H3
InChIKeyJWKUWICGSWVKEP-UHFFFAOYSA-N
XLogP3.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.10
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-diethoxyphosphoryl-3-iodobenzene?
The IUPAC name of 1-diethoxyphosphoryl-3-iodobenzene (CID 18374549) is 1-diethoxyphosphoryl-3-iodobenzene.
What is the SMILES notation for 1-diethoxyphosphoryl-3-iodobenzene?
The canonical SMILES for 1-diethoxyphosphoryl-3-iodobenzene is CCOP(=O)(OCC)c1cccc(I)c1.
What is the InChIKey of 1-diethoxyphosphoryl-3-iodobenzene?
The InChIKey is JWKUWICGSWVKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IO3P/c1-3-13-15(12,14-4-2)10-7-5-6-9(11)8-10/h5-8H,3-4H2,1-2H3.
What are the key properties of 1-diethoxyphosphoryl-3-iodobenzene?
1-diethoxyphosphoryl-3-iodobenzene has a molecular weight of 340.10 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-3-iodobenzene is sourced from PubChem (CID 18374549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).