2,5-dimethyl-1-phenyl-1λ5-phosphole 1-oxide

C12H13OP — CID 59167240

IUPAC2,5-dimethyl-1-phenyl-1λ5-phosphole 1-oxide
SMILESCC1=CC=C(C)P1(=O)c1ccccc1
InChIInChI=1S/C12H13OP/c1-10-8-9-11(2)14(10,13)12-6-4-3-5-7-12/h3-9H,1-2H3
InChIKeyVIIYXUHKIAQPCQ-UHFFFAOYSA-N
MW204.21 g/mol
LogP3.50
Rot. Bonds1

About 2,5-dimethyl-1-phenyl-1λ5-phosphole 1-oxide

2,5-dimethyl-1-phenyl-1λ5-phosphole 1-oxide (PubChem CID 59167240) has the molecular formula C12H13OP and a molecular weight of 204.21 g/mol. Its IUPAC name is 2,5-dimethyl-1-phenyl-1λ5-phosphole 1-oxide.

Molecular Properties

Compound Name2,5-dimethyl-1-phenyl-1λ5-phosphole 1-oxide
PubChem CID59167240
Molecular FormulaC12H13OP
Molecular Weight204.21 g/mol
Exact Mass204.07
IUPAC Name2,5-dimethyl-1-phenyl-1λ5-phosphole 1-oxide
SMILESCC1=CC=C(C)P1(=O)c1ccccc1
InChIInChI=1S/C12H13OP/c1-10-8-9-11(2)14(10,13)12-6-4-3-5-7-12/h3-9H,1-2H3
InChIKeyVIIYXUHKIAQPCQ-UHFFFAOYSA-N
XLogP3.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.21
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,5-dimethyl-1-phenyl-1λ5-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 2,5-dimethyl-1-phenyl-1λ5-phosphole 1-oxide?
The IUPAC name of 2,5-dimethyl-1-phenyl-1λ5-phosphole 1-oxide (CID 59167240) is 2,5-dimethyl-1-phenyl-1λ5-phosphole 1-oxide.
What is the SMILES notation for 2,5-dimethyl-1-phenyl-1λ5-phosphole 1-oxide?
The canonical SMILES for 2,5-dimethyl-1-phenyl-1λ5-phosphole 1-oxide is CC1=CC=C(C)P1(=O)c1ccccc1.
What is the InChIKey of 2,5-dimethyl-1-phenyl-1λ5-phosphole 1-oxide?
The InChIKey is VIIYXUHKIAQPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13OP/c1-10-8-9-11(2)14(10,13)12-6-4-3-5-7-12/h3-9H,1-2H3.
What are the key properties of 2,5-dimethyl-1-phenyl-1λ5-phosphole 1-oxide?
2,5-dimethyl-1-phenyl-1λ5-phosphole 1-oxide has a molecular weight of 204.21 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-phenyl-1λ5-phosphole 1-oxide is sourced from PubChem (CID 59167240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).