1-phenyl-2-phosphorosobenzene

C12H9OP — CID 21281617

IUPAC1-phenyl-2-phosphorosobenzene
SMILESO=Pc1ccccc1-c1ccccc1
InChIInChI=1S/C12H9OP/c13-14-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
InChIKeyQYEIXPMELCCRDC-UHFFFAOYSA-N
MW200.18 g/mol
LogP3.27
Rot. Bonds2

About 1-phenyl-2-phosphorosobenzene

1-phenyl-2-phosphorosobenzene (PubChem CID 21281617) has the molecular formula C12H9OP and a molecular weight of 200.18 g/mol. Its IUPAC name is 1-phenyl-2-phosphorosobenzene.

Molecular Properties

Compound Name1-phenyl-2-phosphorosobenzene
PubChem CID21281617
Molecular FormulaC12H9OP
Molecular Weight200.18 g/mol
Exact Mass200.04
IUPAC Name1-phenyl-2-phosphorosobenzene
SMILESO=Pc1ccccc1-c1ccccc1
InChIInChI=1S/C12H9OP/c13-14-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
InChIKeyQYEIXPMELCCRDC-UHFFFAOYSA-N
XLogP3.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.18
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-phosphorosobenzene?
The IUPAC name of 1-phenyl-2-phosphorosobenzene (CID 21281617) is 1-phenyl-2-phosphorosobenzene.
What is the SMILES notation for 1-phenyl-2-phosphorosobenzene?
The canonical SMILES for 1-phenyl-2-phosphorosobenzene is O=Pc1ccccc1-c1ccccc1.
What is the InChIKey of 1-phenyl-2-phosphorosobenzene?
The InChIKey is QYEIXPMELCCRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9OP/c13-14-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H.
What are the key properties of 1-phenyl-2-phosphorosobenzene?
1-phenyl-2-phosphorosobenzene has a molecular weight of 200.18 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-phosphorosobenzene is sourced from PubChem (CID 21281617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).