[2-methylpropoxy(phenyl)phosphoryl]benzene

C16H19O2P — CID 71352838

IUPAC[2-methylpropoxy(phenyl)phosphoryl]benzene
SMILESCC(C)COP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H19O2P/c1-14(2)13-18-19(17,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3
InChIKeyYMBVZOOLEISNRV-UHFFFAOYSA-N
MW274.30 g/mol
LogP3.59
Rot. Bonds5

About [2-methylpropoxy(phenyl)phosphoryl]benzene

[2-methylpropoxy(phenyl)phosphoryl]benzene (PubChem CID 71352838) has the molecular formula C16H19O2P and a molecular weight of 274.30 g/mol. Its IUPAC name is [2-methylpropoxy(phenyl)phosphoryl]benzene.

Molecular Properties

Compound Name[2-methylpropoxy(phenyl)phosphoryl]benzene
PubChem CID71352838
Molecular FormulaC16H19O2P
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name[2-methylpropoxy(phenyl)phosphoryl]benzene
SMILESCC(C)COP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H19O2P/c1-14(2)13-18-19(17,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3
InChIKeyYMBVZOOLEISNRV-UHFFFAOYSA-N
XLogP3.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 53.59
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 [2-methylpropoxy(phenyl)phosphoryl]benzene?
The IUPAC name of [2-methylpropoxy(phenyl)phosphoryl]benzene (CID 71352838) is [2-methylpropoxy(phenyl)phosphoryl]benzene.
What is the SMILES notation for [2-methylpropoxy(phenyl)phosphoryl]benzene?
The canonical SMILES for [2-methylpropoxy(phenyl)phosphoryl]benzene is CC(C)COP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-methylpropoxy(phenyl)phosphoryl]benzene?
The InChIKey is YMBVZOOLEISNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19O2P/c1-14(2)13-18-19(17,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3.
What are the key properties of [2-methylpropoxy(phenyl)phosphoryl]benzene?
[2-methylpropoxy(phenyl)phosphoryl]benzene has a molecular weight of 274.30 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methylpropoxy(phenyl)phosphoryl]benzene is sourced from PubChem (CID 71352838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).