2-methyl-1-phenylphosphirene

C9H9P — CID 70018230

IUPAC2-methyl-1-phenylphosphirene
SMILESCC1=CP1c1ccccc1
InChIInChI=1S/C9H9P/c1-8-7-10(8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyMBYNTVNYSNQYLM-UHFFFAOYSA-N
MW148.14 g/mol
LogP2.67
Rot. Bonds1

About 2-methyl-1-phenylphosphirene

2-methyl-1-phenylphosphirene (PubChem CID 70018230) has the molecular formula C9H9P and a molecular weight of 148.14 g/mol. Its IUPAC name is 2-methyl-1-phenylphosphirene.

Molecular Properties

Compound Name2-methyl-1-phenylphosphirene
PubChem CID70018230
Molecular FormulaC9H9P
Molecular Weight148.14 g/mol
Exact Mass148.04
IUPAC Name2-methyl-1-phenylphosphirene
SMILESCC1=CP1c1ccccc1
InChIInChI=1S/C9H9P/c1-8-7-10(8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyMBYNTVNYSNQYLM-UHFFFAOYSA-N
XLogP2.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.14
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenylphosphirene?
The IUPAC name of 2-methyl-1-phenylphosphirene (CID 70018230) is 2-methyl-1-phenylphosphirene.
What is the SMILES notation for 2-methyl-1-phenylphosphirene?
The canonical SMILES for 2-methyl-1-phenylphosphirene is CC1=CP1c1ccccc1.
What is the InChIKey of 2-methyl-1-phenylphosphirene?
The InChIKey is MBYNTVNYSNQYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9P/c1-8-7-10(8)9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of 2-methyl-1-phenylphosphirene?
2-methyl-1-phenylphosphirene has a molecular weight of 148.14 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenylphosphirene is sourced from PubChem (CID 70018230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).