4-diphenylphosphoryl-1-iodo-2-methoxybenzene

C19H16IO2P — CID 10884572

IUPAC4-diphenylphosphoryl-1-iodo-2-methoxybenzene
SMILESCOc1cc(P(=O)(c2ccccc2)c2ccccc2)ccc1I
InChIInChI=1S/C19H16IO2P/c1-22-19-14-17(12-13-18(19)20)23(21,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14H,1H3
InChIKeyWMSNYCWBIHPCOB-UHFFFAOYSA-N
MW434.21 g/mol
LogP3.94
Rot. Bonds4

About 4-diphenylphosphoryl-1-iodo-2-methoxybenzene

4-diphenylphosphoryl-1-iodo-2-methoxybenzene (PubChem CID 10884572) has the molecular formula C19H16IO2P and a molecular weight of 434.21 g/mol. Its IUPAC name is 4-diphenylphosphoryl-1-iodo-2-methoxybenzene.

Molecular Properties

Compound Name4-diphenylphosphoryl-1-iodo-2-methoxybenzene
PubChem CID10884572
Molecular FormulaC19H16IO2P
Molecular Weight434.21 g/mol
Exact Mass433.99
IUPAC Name4-diphenylphosphoryl-1-iodo-2-methoxybenzene
SMILESCOc1cc(P(=O)(c2ccccc2)c2ccccc2)ccc1I
InChIInChI=1S/C19H16IO2P/c1-22-19-14-17(12-13-18(19)20)23(21,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14H,1H3
InChIKeyWMSNYCWBIHPCOB-UHFFFAOYSA-N
XLogP3.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.21
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-diphenylphosphoryl-1-iodo-2-methoxybenzene?
The IUPAC name of 4-diphenylphosphoryl-1-iodo-2-methoxybenzene (CID 10884572) is 4-diphenylphosphoryl-1-iodo-2-methoxybenzene.
What is the SMILES notation for 4-diphenylphosphoryl-1-iodo-2-methoxybenzene?
The canonical SMILES for 4-diphenylphosphoryl-1-iodo-2-methoxybenzene is COc1cc(P(=O)(c2ccccc2)c2ccccc2)ccc1I.
What is the InChIKey of 4-diphenylphosphoryl-1-iodo-2-methoxybenzene?
The InChIKey is WMSNYCWBIHPCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16IO2P/c1-22-19-14-17(12-13-18(19)20)23(21,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14H,1H3.
What are the key properties of 4-diphenylphosphoryl-1-iodo-2-methoxybenzene?
4-diphenylphosphoryl-1-iodo-2-methoxybenzene has a molecular weight of 434.21 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diphenylphosphoryl-1-iodo-2-methoxybenzene is sourced from PubChem (CID 10884572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).