[propan-2-yl(propan-2-yloxy)phosphoryl]benzene

C12H19O2P — CID 21317872

IUPAC[propan-2-yl(propan-2-yloxy)phosphoryl]benzene
SMILESCC(C)OP(=O)(c1ccccc1)C(C)C
InChIInChI=1S/C12H19O2P/c1-10(2)14-15(13,11(3)4)12-8-6-5-7-9-12/h5-11H,1-4H3
InChIKeyREYVCCYUOLCUAT-UHFFFAOYSA-N
MW226.26 g/mol
LogP3.42
Rot. Bonds4

About [propan-2-yl(propan-2-yloxy)phosphoryl]benzene

[propan-2-yl(propan-2-yloxy)phosphoryl]benzene (PubChem CID 21317872) has the molecular formula C12H19O2P and a molecular weight of 226.26 g/mol. Its IUPAC name is [propan-2-yl(propan-2-yloxy)phosphoryl]benzene.

Molecular Properties

Compound Name[propan-2-yl(propan-2-yloxy)phosphoryl]benzene
PubChem CID21317872
Molecular FormulaC12H19O2P
Molecular Weight226.26 g/mol
Exact Mass226.11
IUPAC Name[propan-2-yl(propan-2-yloxy)phosphoryl]benzene
SMILESCC(C)OP(=O)(c1ccccc1)C(C)C
InChIInChI=1S/C12H19O2P/c1-10(2)14-15(13,11(3)4)12-8-6-5-7-9-12/h5-11H,1-4H3
InChIKeyREYVCCYUOLCUAT-UHFFFAOYSA-N
XLogP3.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 53.42
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 [propan-2-yl(propan-2-yloxy)phosphoryl]benzene?
The IUPAC name of [propan-2-yl(propan-2-yloxy)phosphoryl]benzene (CID 21317872) is [propan-2-yl(propan-2-yloxy)phosphoryl]benzene.
What is the SMILES notation for [propan-2-yl(propan-2-yloxy)phosphoryl]benzene?
The canonical SMILES for [propan-2-yl(propan-2-yloxy)phosphoryl]benzene is CC(C)OP(=O)(c1ccccc1)C(C)C.
What is the InChIKey of [propan-2-yl(propan-2-yloxy)phosphoryl]benzene?
The InChIKey is REYVCCYUOLCUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19O2P/c1-10(2)14-15(13,11(3)4)12-8-6-5-7-9-12/h5-11H,1-4H3.
What are the key properties of [propan-2-yl(propan-2-yloxy)phosphoryl]benzene?
[propan-2-yl(propan-2-yloxy)phosphoryl]benzene has a molecular weight of 226.26 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [propan-2-yl(propan-2-yloxy)phosphoryl]benzene is sourced from PubChem (CID 21317872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).