[phenyl(propoxy)phosphoryl]benzene

C15H17O2P — CID 2272931

IUPAC[phenyl(propoxy)phosphoryl]benzene
SMILESCCCOP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H17O2P/c1-2-13-17-18(16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3
InChIKeyKPOPYLQJRSZHIK-UHFFFAOYSA-N
MW260.27 g/mol
LogP3.34
Rot. Bonds5

About [phenyl(propoxy)phosphoryl]benzene

[phenyl(propoxy)phosphoryl]benzene (PubChem CID 2272931) has the molecular formula C15H17O2P and a molecular weight of 260.27 g/mol. Its IUPAC name is [phenyl(propoxy)phosphoryl]benzene.

Molecular Properties

Compound Name[phenyl(propoxy)phosphoryl]benzene
PubChem CID2272931
Molecular FormulaC15H17O2P
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name[phenyl(propoxy)phosphoryl]benzene
SMILESCCCOP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H17O2P/c1-2-13-17-18(16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3
InChIKeyKPOPYLQJRSZHIK-UHFFFAOYSA-N
XLogP3.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 53.34
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 [phenyl(propoxy)phosphoryl]benzene?
The IUPAC name of [phenyl(propoxy)phosphoryl]benzene (CID 2272931) is [phenyl(propoxy)phosphoryl]benzene.
What is the SMILES notation for [phenyl(propoxy)phosphoryl]benzene?
The canonical SMILES for [phenyl(propoxy)phosphoryl]benzene is CCCOP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [phenyl(propoxy)phosphoryl]benzene?
The InChIKey is KPOPYLQJRSZHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17O2P/c1-2-13-17-18(16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3.
What are the key properties of [phenyl(propoxy)phosphoryl]benzene?
[phenyl(propoxy)phosphoryl]benzene has a molecular weight of 260.27 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [phenyl(propoxy)phosphoryl]benzene is sourced from PubChem (CID 2272931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).