(2-benzylphenyl)-ethoxy-oxophosphanium

C15H16O2P+ — CID 70227973

IUPAC(2-benzylphenyl)-ethoxy-oxophosphanium
SMILESCCO[P+](=O)c1ccccc1Cc1ccccc1
InChIInChI=1S/C15H16O2P/c1-2-17-18(16)15-11-7-6-10-14(15)12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3/q+1
InChIKeyKQGWQYIFXTYNOP-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.68
Rot. Bonds5

About (2-benzylphenyl)-ethoxy-oxophosphanium

(2-benzylphenyl)-ethoxy-oxophosphanium (PubChem CID 70227973) has the molecular formula C15H16O2P+ and a molecular weight of 259.27 g/mol. Its IUPAC name is (2-benzylphenyl)-ethoxy-oxophosphanium.

Molecular Properties

Compound Name(2-benzylphenyl)-ethoxy-oxophosphanium
PubChem CID70227973
Molecular FormulaC15H16O2P+
Molecular Weight259.27 g/mol
Exact Mass259.09
IUPAC Name(2-benzylphenyl)-ethoxy-oxophosphanium
SMILESCCO[P+](=O)c1ccccc1Cc1ccccc1
InChIInChI=1S/C15H16O2P/c1-2-17-18(16)15-11-7-6-10-14(15)12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3/q+1
InChIKeyKQGWQYIFXTYNOP-UHFFFAOYSA-N
XLogP3.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.68
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-benzylphenyl)-ethoxy-oxophosphanium?
The IUPAC name of (2-benzylphenyl)-ethoxy-oxophosphanium (CID 70227973) is (2-benzylphenyl)-ethoxy-oxophosphanium.
What is the SMILES notation for (2-benzylphenyl)-ethoxy-oxophosphanium?
The canonical SMILES for (2-benzylphenyl)-ethoxy-oxophosphanium is CCO[P+](=O)c1ccccc1Cc1ccccc1.
What is the InChIKey of (2-benzylphenyl)-ethoxy-oxophosphanium?
The InChIKey is KQGWQYIFXTYNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2P/c1-2-17-18(16)15-11-7-6-10-14(15)12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3/q+1.
What are the key properties of (2-benzylphenyl)-ethoxy-oxophosphanium?
(2-benzylphenyl)-ethoxy-oxophosphanium has a molecular weight of 259.27 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzylphenyl)-ethoxy-oxophosphanium is sourced from PubChem (CID 70227973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).