[tert-butyl(propan-2-yloxy)phosphoryl]benzene

C13H21O2P — CID 57270314

IUPAC[tert-butyl(propan-2-yloxy)phosphoryl]benzene
SMILESCC(C)OP(=O)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C13H21O2P/c1-11(2)15-16(14,13(3,4)5)12-9-7-6-8-10-12/h6-11H,1-5H3
InChIKeyZIXLPPADHQOEBP-UHFFFAOYSA-N
MW240.28 g/mol
LogP3.81
Rot. Bonds3

About [tert-butyl(propan-2-yloxy)phosphoryl]benzene

[tert-butyl(propan-2-yloxy)phosphoryl]benzene (PubChem CID 57270314) has the molecular formula C13H21O2P and a molecular weight of 240.28 g/mol. Its IUPAC name is [tert-butyl(propan-2-yloxy)phosphoryl]benzene.

Molecular Properties

Compound Name[tert-butyl(propan-2-yloxy)phosphoryl]benzene
PubChem CID57270314
Molecular FormulaC13H21O2P
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name[tert-butyl(propan-2-yloxy)phosphoryl]benzene
SMILESCC(C)OP(=O)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C13H21O2P/c1-11(2)15-16(14,13(3,4)5)12-9-7-6-8-10-12/h6-11H,1-5H3
InChIKeyZIXLPPADHQOEBP-UHFFFAOYSA-N
XLogP3.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 53.81
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(propan-2-yloxy)phosphoryl]benzene?
The IUPAC name of [tert-butyl(propan-2-yloxy)phosphoryl]benzene (CID 57270314) is [tert-butyl(propan-2-yloxy)phosphoryl]benzene.
What is the SMILES notation for [tert-butyl(propan-2-yloxy)phosphoryl]benzene?
The canonical SMILES for [tert-butyl(propan-2-yloxy)phosphoryl]benzene is CC(C)OP(=O)(c1ccccc1)C(C)(C)C.
What is the InChIKey of [tert-butyl(propan-2-yloxy)phosphoryl]benzene?
The InChIKey is ZIXLPPADHQOEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21O2P/c1-11(2)15-16(14,13(3,4)5)12-9-7-6-8-10-12/h6-11H,1-5H3.
What are the key properties of [tert-butyl(propan-2-yloxy)phosphoryl]benzene?
[tert-butyl(propan-2-yloxy)phosphoryl]benzene has a molecular weight of 240.28 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(propan-2-yloxy)phosphoryl]benzene is sourced from PubChem (CID 57270314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).