(4-bromophenyl)methoxy-hydroxy-oxophosphanium;butane

C11H17BrO3P+ — CID 67541029

IUPAC(4-bromophenyl)methoxy-hydroxy-oxophosphanium;butane
SMILESCCCC.O=[P+](O)OCc1ccc(Br)cc1
InChIInChI=1S/C7H6BrO3P.C4H10/c8-7-3-1-6(2-4-7)5-11-12(9)10;1-3-4-2/h1-4H,5H2;3-4H2,1-2H3/p+1
InChIKeyLPYZCVZATUDAFX-UHFFFAOYSA-O
MW308.13 g/mol
LogP4.42
Rot. Bonds4

About (4-bromophenyl)methoxy-hydroxy-oxophosphanium;butane

(4-bromophenyl)methoxy-hydroxy-oxophosphanium;butane (PubChem CID 67541029) has the molecular formula C11H17BrO3P+ and a molecular weight of 308.13 g/mol. Its IUPAC name is (4-bromophenyl)methoxy-hydroxy-oxophosphanium;butane.

Molecular Properties

Compound Name(4-bromophenyl)methoxy-hydroxy-oxophosphanium;butane
PubChem CID67541029
Molecular FormulaC11H17BrO3P+
Molecular Weight308.13 g/mol
Exact Mass307.01
IUPAC Name(4-bromophenyl)methoxy-hydroxy-oxophosphanium;butane
SMILESCCCC.O=[P+](O)OCc1ccc(Br)cc1
InChIInChI=1S/C7H6BrO3P.C4H10/c8-7-3-1-6(2-4-7)5-11-12(9)10;1-3-4-2/h1-4H,5H2;3-4H2,1-2H3/p+1
InChIKeyLPYZCVZATUDAFX-UHFFFAOYSA-O
XLogP4.42
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.13
LogP ≤ 54.42
H-Bond Donors ≤ 51
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 (4-bromophenyl)methoxy-hydroxy-oxophosphanium;butane?
The IUPAC name of (4-bromophenyl)methoxy-hydroxy-oxophosphanium;butane (CID 67541029) is (4-bromophenyl)methoxy-hydroxy-oxophosphanium;butane.
What is the SMILES notation for (4-bromophenyl)methoxy-hydroxy-oxophosphanium;butane?
The canonical SMILES for (4-bromophenyl)methoxy-hydroxy-oxophosphanium;butane is CCCC.O=[P+](O)OCc1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)methoxy-hydroxy-oxophosphanium;butane?
The InChIKey is LPYZCVZATUDAFX-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H6BrO3P.C4H10/c8-7-3-1-6(2-4-7)5-11-12(9)10;1-3-4-2/h1-4H,5H2;3-4H2,1-2H3/p+1.
What are the key properties of (4-bromophenyl)methoxy-hydroxy-oxophosphanium;butane?
(4-bromophenyl)methoxy-hydroxy-oxophosphanium;butane has a molecular weight of 308.13 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)methoxy-hydroxy-oxophosphanium;butane is sourced from PubChem (CID 67541029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).