phosphobenzene

C6H5O2P — CID 6911879

IUPACphosphobenzene
SMILESO=P(=O)c1ccccc1
InChIInChI=1S/C6H5O2P/c7-9(8)6-4-2-1-3-5-6/h1-5H
InChIKeyKNQVWTDLQQGKSV-UHFFFAOYSA-N
MW140.08 g/mol
LogP1.48
Rot. Bonds1

About phosphobenzene

phosphobenzene (PubChem CID 6911879) has the molecular formula C6H5O2P and a molecular weight of 140.08 g/mol. Its IUPAC name is phosphobenzene.

Molecular Properties

Compound Namephosphobenzene
PubChem CID6911879
Molecular FormulaC6H5O2P
Molecular Weight140.08 g/mol
Exact Mass140.00
IUPAC Namephosphobenzene
SMILESO=P(=O)c1ccccc1
InChIInChI=1S/C6H5O2P/c7-9(8)6-4-2-1-3-5-6/h1-5H
InChIKeyKNQVWTDLQQGKSV-UHFFFAOYSA-N
XLogP1.48
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.08
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phosphobenzene?
The IUPAC name of phosphobenzene (CID 6911879) is phosphobenzene.
What is the SMILES notation for phosphobenzene?
The canonical SMILES for phosphobenzene is O=P(=O)c1ccccc1.
What is the InChIKey of phosphobenzene?
The InChIKey is KNQVWTDLQQGKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5O2P/c7-9(8)6-4-2-1-3-5-6/h1-5H.
What are the key properties of phosphobenzene?
phosphobenzene has a molecular weight of 140.08 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phosphobenzene is sourced from PubChem (CID 6911879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).