[tert-butyl(phenyl)phosphoryl]oxybenzene

C16H19O2P — CID 91326926

IUPAC[tert-butyl(phenyl)phosphoryl]oxybenzene
SMILESCC(C)(C)P(=O)(Oc1ccccc1)c1ccccc1
InChIInChI=1S/C16H19O2P/c1-16(2,3)19(17,15-12-8-5-9-13-15)18-14-10-6-4-7-11-14/h4-13H,1-3H3
InChIKeyJTSKLVFYZADJMV-UHFFFAOYSA-N
MW274.30 g/mol
LogP4.47
Rot. Bonds3

About [tert-butyl(phenyl)phosphoryl]oxybenzene

[tert-butyl(phenyl)phosphoryl]oxybenzene (PubChem CID 91326926) has the molecular formula C16H19O2P and a molecular weight of 274.30 g/mol. Its IUPAC name is [tert-butyl(phenyl)phosphoryl]oxybenzene.

Molecular Properties

Compound Name[tert-butyl(phenyl)phosphoryl]oxybenzene
PubChem CID91326926
Molecular FormulaC16H19O2P
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name[tert-butyl(phenyl)phosphoryl]oxybenzene
SMILESCC(C)(C)P(=O)(Oc1ccccc1)c1ccccc1
InChIInChI=1S/C16H19O2P/c1-16(2,3)19(17,15-12-8-5-9-13-15)18-14-10-6-4-7-11-14/h4-13H,1-3H3
InChIKeyJTSKLVFYZADJMV-UHFFFAOYSA-N
XLogP4.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 54.47
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 [tert-butyl(phenyl)phosphoryl]oxybenzene?
The IUPAC name of [tert-butyl(phenyl)phosphoryl]oxybenzene (CID 91326926) is [tert-butyl(phenyl)phosphoryl]oxybenzene.
What is the SMILES notation for [tert-butyl(phenyl)phosphoryl]oxybenzene?
The canonical SMILES for [tert-butyl(phenyl)phosphoryl]oxybenzene is CC(C)(C)P(=O)(Oc1ccccc1)c1ccccc1.
What is the InChIKey of [tert-butyl(phenyl)phosphoryl]oxybenzene?
The InChIKey is JTSKLVFYZADJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19O2P/c1-16(2,3)19(17,15-12-8-5-9-13-15)18-14-10-6-4-7-11-14/h4-13H,1-3H3.
What are the key properties of [tert-butyl(phenyl)phosphoryl]oxybenzene?
[tert-butyl(phenyl)phosphoryl]oxybenzene has a molecular weight of 274.30 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(phenyl)phosphoryl]oxybenzene is sourced from PubChem (CID 91326926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).