(4-bromophenyl)methoxy-ethoxy-oxophosphanium

C9H11BrO3P+ — CID 69294075

IUPAC(4-bromophenyl)methoxy-ethoxy-oxophosphanium
SMILESCCO[P+](=O)OCc1ccc(Br)cc1
InChIInChI=1S/C9H11BrO3P/c1-2-12-14(11)13-7-8-3-5-9(10)6-4-8/h3-6H,2,7H2,1H3/q+1
InChIKeyZDLCDROUCZXGTL-UHFFFAOYSA-N
MW278.06 g/mol
LogP3.66
Rot. Bonds5

About (4-bromophenyl)methoxy-ethoxy-oxophosphanium

(4-bromophenyl)methoxy-ethoxy-oxophosphanium (PubChem CID 69294075) has the molecular formula C9H11BrO3P+ and a molecular weight of 278.06 g/mol. Its IUPAC name is (4-bromophenyl)methoxy-ethoxy-oxophosphanium.

Molecular Properties

Compound Name(4-bromophenyl)methoxy-ethoxy-oxophosphanium
PubChem CID69294075
Molecular FormulaC9H11BrO3P+
Molecular Weight278.06 g/mol
Exact Mass276.96
IUPAC Name(4-bromophenyl)methoxy-ethoxy-oxophosphanium
SMILESCCO[P+](=O)OCc1ccc(Br)cc1
InChIInChI=1S/C9H11BrO3P/c1-2-12-14(11)13-7-8-3-5-9(10)6-4-8/h3-6H,2,7H2,1H3/q+1
InChIKeyZDLCDROUCZXGTL-UHFFFAOYSA-N
XLogP3.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.06
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)methoxy-ethoxy-oxophosphanium?
The IUPAC name of (4-bromophenyl)methoxy-ethoxy-oxophosphanium (CID 69294075) is (4-bromophenyl)methoxy-ethoxy-oxophosphanium.
What is the SMILES notation for (4-bromophenyl)methoxy-ethoxy-oxophosphanium?
The canonical SMILES for (4-bromophenyl)methoxy-ethoxy-oxophosphanium is CCO[P+](=O)OCc1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)methoxy-ethoxy-oxophosphanium?
The InChIKey is ZDLCDROUCZXGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO3P/c1-2-12-14(11)13-7-8-3-5-9(10)6-4-8/h3-6H,2,7H2,1H3/q+1.
What are the key properties of (4-bromophenyl)methoxy-ethoxy-oxophosphanium?
(4-bromophenyl)methoxy-ethoxy-oxophosphanium has a molecular weight of 278.06 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)methoxy-ethoxy-oxophosphanium is sourced from PubChem (CID 69294075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).