di(propan-2-yloxy)phosphorylbenzene

C12H19O3P — CID 4228208

IUPACdi(propan-2-yloxy)phosphorylbenzene
SMILESCC(C)OP(=O)(OC(C)C)c1ccccc1
InChIInChI=1S/C12H19O3P/c1-10(2)14-16(13,15-11(3)4)12-8-6-5-7-9-12/h5-11H,1-4H3
InChIKeyCTLLAZAHTUAAGH-UHFFFAOYSA-N
MW242.25 g/mol
LogP3.36
Rot. Bonds5

About di(propan-2-yloxy)phosphorylbenzene

di(propan-2-yloxy)phosphorylbenzene (PubChem CID 4228208) has the molecular formula C12H19O3P and a molecular weight of 242.25 g/mol. Its IUPAC name is di(propan-2-yloxy)phosphorylbenzene.

Molecular Properties

Compound Namedi(propan-2-yloxy)phosphorylbenzene
PubChem CID4228208
Molecular FormulaC12H19O3P
Molecular Weight242.25 g/mol
Exact Mass242.11
IUPAC Namedi(propan-2-yloxy)phosphorylbenzene
SMILESCC(C)OP(=O)(OC(C)C)c1ccccc1
InChIInChI=1S/C12H19O3P/c1-10(2)14-16(13,15-11(3)4)12-8-6-5-7-9-12/h5-11H,1-4H3
InChIKeyCTLLAZAHTUAAGH-UHFFFAOYSA-N
XLogP3.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 53.36
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 di(propan-2-yloxy)phosphorylbenzene?
The IUPAC name of di(propan-2-yloxy)phosphorylbenzene (CID 4228208) is di(propan-2-yloxy)phosphorylbenzene.
What is the SMILES notation for di(propan-2-yloxy)phosphorylbenzene?
The canonical SMILES for di(propan-2-yloxy)phosphorylbenzene is CC(C)OP(=O)(OC(C)C)c1ccccc1.
What is the InChIKey of di(propan-2-yloxy)phosphorylbenzene?
The InChIKey is CTLLAZAHTUAAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19O3P/c1-10(2)14-16(13,15-11(3)4)12-8-6-5-7-9-12/h5-11H,1-4H3.
What are the key properties of di(propan-2-yloxy)phosphorylbenzene?
di(propan-2-yloxy)phosphorylbenzene has a molecular weight of 242.25 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for di(propan-2-yloxy)phosphorylbenzene is sourced from PubChem (CID 4228208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).