1,2-diphenyl-3-phosphorosooxybenzene

C18H13O2P — CID 54148211

IUPAC1,2-diphenyl-3-phosphorosooxybenzene
SMILESO=POc1cccc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C18H13O2P/c19-21-20-17-13-7-12-16(14-8-3-1-4-9-14)18(17)15-10-5-2-6-11-15/h1-13H
InChIKeyQDQORMATWIYPMR-UHFFFAOYSA-N
MW292.27 g/mol
LogP5.61
Rot. Bonds4

About 1,2-diphenyl-3-phosphorosooxybenzene

1,2-diphenyl-3-phosphorosooxybenzene (PubChem CID 54148211) has the molecular formula C18H13O2P and a molecular weight of 292.27 g/mol. Its IUPAC name is 1,2-diphenyl-3-phosphorosooxybenzene.

Molecular Properties

Compound Name1,2-diphenyl-3-phosphorosooxybenzene
PubChem CID54148211
Molecular FormulaC18H13O2P
Molecular Weight292.27 g/mol
Exact Mass292.07
IUPAC Name1,2-diphenyl-3-phosphorosooxybenzene
SMILESO=POc1cccc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C18H13O2P/c19-21-20-17-13-7-12-16(14-8-3-1-4-9-14)18(17)15-10-5-2-6-11-15/h1-13H
InChIKeyQDQORMATWIYPMR-UHFFFAOYSA-N
XLogP5.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.27
LogP ≤ 55.61
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 1,2-diphenyl-3-phosphorosooxybenzene?
The IUPAC name of 1,2-diphenyl-3-phosphorosooxybenzene (CID 54148211) is 1,2-diphenyl-3-phosphorosooxybenzene.
What is the SMILES notation for 1,2-diphenyl-3-phosphorosooxybenzene?
The canonical SMILES for 1,2-diphenyl-3-phosphorosooxybenzene is O=POc1cccc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 1,2-diphenyl-3-phosphorosooxybenzene?
The InChIKey is QDQORMATWIYPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13O2P/c19-21-20-17-13-7-12-16(14-8-3-1-4-9-14)18(17)15-10-5-2-6-11-15/h1-13H.
What are the key properties of 1,2-diphenyl-3-phosphorosooxybenzene?
1,2-diphenyl-3-phosphorosooxybenzene has a molecular weight of 292.27 g/mol, XLogP of 5.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenyl-3-phosphorosooxybenzene is sourced from PubChem (CID 54148211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).