phenylphosphonic acid;toluene

C20H23O3P — CID 174457204

IUPACphenylphosphonic acid;toluene
SMILESCc1ccccc1.Cc1ccccc1.O=P(O)(O)c1ccccc1
InChIInChI=1S/2C7H8.C6H7O3P/c2*1-7-5-3-2-4-6-7;7-10(8,9)6-4-2-1-3-5-6/h2*2-6H,1H3;1-5H,(H2,7,8,9)
InChIKeyHXDQTTKYHNCCLS-UHFFFAOYSA-N
MW342.38 g/mol
LogP4.48
Rot. Bonds1

About phenylphosphonic acid;toluene

phenylphosphonic acid;toluene (PubChem CID 174457204) has the molecular formula C20H23O3P and a molecular weight of 342.38 g/mol. Its IUPAC name is phenylphosphonic acid;toluene.

Molecular Properties

Compound Namephenylphosphonic acid;toluene
PubChem CID174457204
Molecular FormulaC20H23O3P
Molecular Weight342.38 g/mol
Exact Mass342.14
IUPAC Namephenylphosphonic acid;toluene
SMILESCc1ccccc1.Cc1ccccc1.O=P(O)(O)c1ccccc1
InChIInChI=1S/2C7H8.C6H7O3P/c2*1-7-5-3-2-4-6-7;7-10(8,9)6-4-2-1-3-5-6/h2*2-6H,1H3;1-5H,(H2,7,8,9)
InChIKeyHXDQTTKYHNCCLS-UHFFFAOYSA-N
XLogP4.48
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 54.48
H-Bond Donors ≤ 52
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 phenylphosphonic acid;toluene?
The IUPAC name of phenylphosphonic acid;toluene (CID 174457204) is phenylphosphonic acid;toluene.
What is the SMILES notation for phenylphosphonic acid;toluene?
The canonical SMILES for phenylphosphonic acid;toluene is Cc1ccccc1.Cc1ccccc1.O=P(O)(O)c1ccccc1.
What is the InChIKey of phenylphosphonic acid;toluene?
The InChIKey is HXDQTTKYHNCCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H8.C6H7O3P/c2*1-7-5-3-2-4-6-7;7-10(8,9)6-4-2-1-3-5-6/h2*2-6H,1H3;1-5H,(H2,7,8,9).
What are the key properties of phenylphosphonic acid;toluene?
phenylphosphonic acid;toluene has a molecular weight of 342.38 g/mol, XLogP of 4.48, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenylphosphonic acid;toluene is sourced from PubChem (CID 174457204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).