1-phenyl-2,3-dihydro-1lambda5-phosphole 1-oxide

C10H11OP — CID 2324944

IUPAC1-phenyl-2,3-dihydro-1lambda5-phosphole 1-oxide
SMILESO=P1(c2ccccc2)C=CCC1
InChIInChI=1S/C10H11OP/c11-12(8-4-5-9-12)10-6-2-1-3-7-10/h1-4,6-8H,5,9H2
InChIKeyYUQUHJGNZFFDAA-UHFFFAOYSA-N
MW178.17 g/mol
LogP2.59
Rot. Bonds1

About 1-phenyl-2,3-dihydro-1lambda5-phosphole 1-oxide

1-phenyl-2,3-dihydro-1lambda5-phosphole 1-oxide (PubChem CID 2324944) has the molecular formula C10H11OP and a molecular weight of 178.17 g/mol. Its IUPAC name is 1-phenyl-2,3-dihydro-1lambda5-phosphole 1-oxide.

Molecular Properties

Compound Name1-phenyl-2,3-dihydro-1lambda5-phosphole 1-oxide
PubChem CID2324944
Molecular FormulaC10H11OP
Molecular Weight178.17 g/mol
Exact Mass178.05
IUPAC Name1-phenyl-2,3-dihydro-1lambda5-phosphole 1-oxide
SMILESO=P1(c2ccccc2)C=CCC1
InChIInChI=1S/C10H11OP/c11-12(8-4-5-9-12)10-6-2-1-3-7-10/h1-4,6-8H,5,9H2
InChIKeyYUQUHJGNZFFDAA-UHFFFAOYSA-N
XLogP2.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-phenyl-2,3-dihydro-1lambda5-phosphole 1-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2,3-dihydro-1lambda5-phosphole 1-oxide?
The IUPAC name of 1-phenyl-2,3-dihydro-1lambda5-phosphole 1-oxide (CID 2324944) is 1-phenyl-2,3-dihydro-1lambda5-phosphole 1-oxide.
What is the SMILES notation for 1-phenyl-2,3-dihydro-1lambda5-phosphole 1-oxide?
The canonical SMILES for 1-phenyl-2,3-dihydro-1lambda5-phosphole 1-oxide is O=P1(c2ccccc2)C=CCC1.
What is the InChIKey of 1-phenyl-2,3-dihydro-1lambda5-phosphole 1-oxide?
The InChIKey is YUQUHJGNZFFDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11OP/c11-12(8-4-5-9-12)10-6-2-1-3-7-10/h1-4,6-8H,5,9H2.
What are the key properties of 1-phenyl-2,3-dihydro-1lambda5-phosphole 1-oxide?
1-phenyl-2,3-dihydro-1lambda5-phosphole 1-oxide has a molecular weight of 178.17 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2,3-dihydro-1lambda5-phosphole 1-oxide is sourced from PubChem (CID 2324944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).