[methyl(propan-2-yloxy)phosphoryl]methylbenzene

C11H17O2P — CID 11769791

IUPAC[methyl(propan-2-yloxy)phosphoryl]methylbenzene
SMILESCC(C)OP(C)(=O)Cc1ccccc1
InChIInChI=1S/C11H17O2P/c1-10(2)13-14(3,12)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKeyFXEYFUXPLPIDNB-UHFFFAOYSA-N
MW212.23 g/mol
LogP3.52
Rot. Bonds4

About [methyl(propan-2-yloxy)phosphoryl]methylbenzene

[methyl(propan-2-yloxy)phosphoryl]methylbenzene (PubChem CID 11769791) has the molecular formula C11H17O2P and a molecular weight of 212.23 g/mol. Its IUPAC name is [methyl(propan-2-yloxy)phosphoryl]methylbenzene.

Molecular Properties

Compound Name[methyl(propan-2-yloxy)phosphoryl]methylbenzene
PubChem CID11769791
Molecular FormulaC11H17O2P
Molecular Weight212.23 g/mol
Exact Mass212.10
IUPAC Name[methyl(propan-2-yloxy)phosphoryl]methylbenzene
SMILESCC(C)OP(C)(=O)Cc1ccccc1
InChIInChI=1S/C11H17O2P/c1-10(2)13-14(3,12)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKeyFXEYFUXPLPIDNB-UHFFFAOYSA-N
XLogP3.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 53.52
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 [methyl(propan-2-yloxy)phosphoryl]methylbenzene?
The IUPAC name of [methyl(propan-2-yloxy)phosphoryl]methylbenzene (CID 11769791) is [methyl(propan-2-yloxy)phosphoryl]methylbenzene.
What is the SMILES notation for [methyl(propan-2-yloxy)phosphoryl]methylbenzene?
The canonical SMILES for [methyl(propan-2-yloxy)phosphoryl]methylbenzene is CC(C)OP(C)(=O)Cc1ccccc1.
What is the InChIKey of [methyl(propan-2-yloxy)phosphoryl]methylbenzene?
The InChIKey is FXEYFUXPLPIDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17O2P/c1-10(2)13-14(3,12)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3.
What are the key properties of [methyl(propan-2-yloxy)phosphoryl]methylbenzene?
[methyl(propan-2-yloxy)phosphoryl]methylbenzene has a molecular weight of 212.23 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl(propan-2-yloxy)phosphoryl]methylbenzene is sourced from PubChem (CID 11769791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).