[tert-butyl(phenyl)phosphoryl]benzene

C16H19OP — CID 521745

IUPAC[tert-butyl(phenyl)phosphoryl]benzene
SMILESCC(C)(C)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H19OP/c1-16(2,3)18(17,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13H,1-3H3
InChIKeyCHFOAXGMRFQIOK-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.80
Rot. Bonds2

About [tert-butyl(phenyl)phosphoryl]benzene

[tert-butyl(phenyl)phosphoryl]benzene (PubChem CID 521745) has the molecular formula C16H19OP and a molecular weight of 258.30 g/mol. Its IUPAC name is [tert-butyl(phenyl)phosphoryl]benzene.

Molecular Properties

Compound Name[tert-butyl(phenyl)phosphoryl]benzene
PubChem CID521745
Molecular FormulaC16H19OP
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name[tert-butyl(phenyl)phosphoryl]benzene
SMILESCC(C)(C)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H19OP/c1-16(2,3)18(17,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13H,1-3H3
InChIKeyCHFOAXGMRFQIOK-UHFFFAOYSA-N
XLogP3.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.80
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 [tert-butyl(phenyl)phosphoryl]benzene?
The IUPAC name of [tert-butyl(phenyl)phosphoryl]benzene (CID 521745) is [tert-butyl(phenyl)phosphoryl]benzene.
What is the SMILES notation for [tert-butyl(phenyl)phosphoryl]benzene?
The canonical SMILES for [tert-butyl(phenyl)phosphoryl]benzene is CC(C)(C)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [tert-butyl(phenyl)phosphoryl]benzene?
The InChIKey is CHFOAXGMRFQIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19OP/c1-16(2,3)18(17,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13H,1-3H3.
What are the key properties of [tert-butyl(phenyl)phosphoryl]benzene?
[tert-butyl(phenyl)phosphoryl]benzene has a molecular weight of 258.30 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(phenyl)phosphoryl]benzene is sourced from PubChem (CID 521745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).