[methoxy(phenyl)phosphoryl]benzene

C13H13O2P — CID 615685

IUPAC[methoxy(phenyl)phosphoryl]benzene
SMILESCOP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H13O2P/c1-15-16(14,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3
InChIKeyBHUMZHDFNOXAMC-UHFFFAOYSA-N
MW232.22 g/mol
LogP2.56
Rot. Bonds3

About [methoxy(phenyl)phosphoryl]benzene

[methoxy(phenyl)phosphoryl]benzene (PubChem CID 615685) has the molecular formula C13H13O2P and a molecular weight of 232.22 g/mol. Its IUPAC name is [methoxy(phenyl)phosphoryl]benzene.

Molecular Properties

Compound Name[methoxy(phenyl)phosphoryl]benzene
PubChem CID615685
Molecular FormulaC13H13O2P
Molecular Weight232.22 g/mol
Exact Mass232.07
IUPAC Name[methoxy(phenyl)phosphoryl]benzene
SMILESCOP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H13O2P/c1-15-16(14,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3
InChIKeyBHUMZHDFNOXAMC-UHFFFAOYSA-N
XLogP2.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.22
LogP ≤ 52.56
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 [methoxy(phenyl)phosphoryl]benzene?
The IUPAC name of [methoxy(phenyl)phosphoryl]benzene (CID 615685) is [methoxy(phenyl)phosphoryl]benzene.
What is the SMILES notation for [methoxy(phenyl)phosphoryl]benzene?
The canonical SMILES for [methoxy(phenyl)phosphoryl]benzene is COP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [methoxy(phenyl)phosphoryl]benzene?
The InChIKey is BHUMZHDFNOXAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13O2P/c1-15-16(14,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3.
What are the key properties of [methoxy(phenyl)phosphoryl]benzene?
[methoxy(phenyl)phosphoryl]benzene has a molecular weight of 232.22 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [methoxy(phenyl)phosphoryl]benzene is sourced from PubChem (CID 615685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).