[tert-butyl(methyl)phosphoryl]benzene

C11H17OP — CID 12568653

IUPAC[tert-butyl(methyl)phosphoryl]benzene
SMILESCC(C)(C)P(C)(=O)c1ccccc1
InChIInChI=1S/C11H17OP/c1-11(2,3)13(4,12)10-8-6-5-7-9-10/h5-9H,1-4H3
InChIKeySAGFRDRHJPDVFK-UHFFFAOYSA-N
MW196.23 g/mol
LogP3.10
Rot. Bonds1

About [tert-butyl(methyl)phosphoryl]benzene

[tert-butyl(methyl)phosphoryl]benzene (PubChem CID 12568653) has the molecular formula C11H17OP and a molecular weight of 196.23 g/mol. Its IUPAC name is [tert-butyl(methyl)phosphoryl]benzene.

Molecular Properties

Compound Name[tert-butyl(methyl)phosphoryl]benzene
PubChem CID12568653
Molecular FormulaC11H17OP
Molecular Weight196.23 g/mol
Exact Mass196.10
IUPAC Name[tert-butyl(methyl)phosphoryl]benzene
SMILESCC(C)(C)P(C)(=O)c1ccccc1
InChIInChI=1S/C11H17OP/c1-11(2,3)13(4,12)10-8-6-5-7-9-10/h5-9H,1-4H3
InChIKeySAGFRDRHJPDVFK-UHFFFAOYSA-N
XLogP3.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 53.10
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(methyl)phosphoryl]benzene?
The IUPAC name of [tert-butyl(methyl)phosphoryl]benzene (CID 12568653) is [tert-butyl(methyl)phosphoryl]benzene.
What is the SMILES notation for [tert-butyl(methyl)phosphoryl]benzene?
The canonical SMILES for [tert-butyl(methyl)phosphoryl]benzene is CC(C)(C)P(C)(=O)c1ccccc1.
What is the InChIKey of [tert-butyl(methyl)phosphoryl]benzene?
The InChIKey is SAGFRDRHJPDVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17OP/c1-11(2,3)13(4,12)10-8-6-5-7-9-10/h5-9H,1-4H3.
What are the key properties of [tert-butyl(methyl)phosphoryl]benzene?
[tert-butyl(methyl)phosphoryl]benzene has a molecular weight of 196.23 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(methyl)phosphoryl]benzene is sourced from PubChem (CID 12568653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).