2-di(propan-2-yloxy)phosphoryl-1,3,5-trimethylbenzene

C15H25O3P — CID 58462783

IUPAC2-di(propan-2-yloxy)phosphoryl-1,3,5-trimethylbenzene
SMILESCc1cc(C)c(P(=O)(OC(C)C)OC(C)C)c(C)c1
InChIInChI=1S/C15H25O3P/c1-10(2)17-19(16,18-11(3)4)15-13(6)8-12(5)9-14(15)7/h8-11H,1-7H3
InChIKeyQDULFJYGLHVRNG-UHFFFAOYSA-N
MW284.34 g/mol
LogP4.28
Rot. Bonds5

About 2-di(propan-2-yloxy)phosphoryl-1,3,5-trimethylbenzene

2-di(propan-2-yloxy)phosphoryl-1,3,5-trimethylbenzene (PubChem CID 58462783) has the molecular formula C15H25O3P and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-di(propan-2-yloxy)phosphoryl-1,3,5-trimethylbenzene.

Molecular Properties

Compound Name2-di(propan-2-yloxy)phosphoryl-1,3,5-trimethylbenzene
PubChem CID58462783
Molecular FormulaC15H25O3P
Molecular Weight284.34 g/mol
Exact Mass284.15
IUPAC Name2-di(propan-2-yloxy)phosphoryl-1,3,5-trimethylbenzene
SMILESCc1cc(C)c(P(=O)(OC(C)C)OC(C)C)c(C)c1
InChIInChI=1S/C15H25O3P/c1-10(2)17-19(16,18-11(3)4)15-13(6)8-12(5)9-14(15)7/h8-11H,1-7H3
InChIKeyQDULFJYGLHVRNG-UHFFFAOYSA-N
XLogP4.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-di(propan-2-yloxy)phosphoryl-1,3,5-trimethylbenzene?
The IUPAC name of 2-di(propan-2-yloxy)phosphoryl-1,3,5-trimethylbenzene (CID 58462783) is 2-di(propan-2-yloxy)phosphoryl-1,3,5-trimethylbenzene.
What is the SMILES notation for 2-di(propan-2-yloxy)phosphoryl-1,3,5-trimethylbenzene?
The canonical SMILES for 2-di(propan-2-yloxy)phosphoryl-1,3,5-trimethylbenzene is Cc1cc(C)c(P(=O)(OC(C)C)OC(C)C)c(C)c1.
What is the InChIKey of 2-di(propan-2-yloxy)phosphoryl-1,3,5-trimethylbenzene?
The InChIKey is QDULFJYGLHVRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25O3P/c1-10(2)17-19(16,18-11(3)4)15-13(6)8-12(5)9-14(15)7/h8-11H,1-7H3.
What are the key properties of 2-di(propan-2-yloxy)phosphoryl-1,3,5-trimethylbenzene?
2-di(propan-2-yloxy)phosphoryl-1,3,5-trimethylbenzene has a molecular weight of 284.34 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-di(propan-2-yloxy)phosphoryl-1,3,5-trimethylbenzene is sourced from PubChem (CID 58462783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).