4-bromobutoxy-hydroxy-oxophosphanium

C4H9BrO3P+ — CID 13262446

IUPAC4-bromobutoxy-hydroxy-oxophosphanium
SMILESO=[P+](O)OCCCCBr
InChIInChI=1S/C4H8BrO3P/c5-3-1-2-4-8-9(6)7/h1-4H2/p+1
InChIKeyFOLMPGLXBVJHHD-UHFFFAOYSA-O
MW215.99 g/mol
LogP1.83
Rot. Bonds5

About 4-bromobutoxy-hydroxy-oxophosphanium

4-bromobutoxy-hydroxy-oxophosphanium (PubChem CID 13262446) has the molecular formula C4H9BrO3P+ and a molecular weight of 215.99 g/mol. Its IUPAC name is 4-bromobutoxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Name4-bromobutoxy-hydroxy-oxophosphanium
PubChem CID13262446
Molecular FormulaC4H9BrO3P+
Molecular Weight215.99 g/mol
Exact Mass214.95
IUPAC Name4-bromobutoxy-hydroxy-oxophosphanium
SMILESO=[P+](O)OCCCCBr
InChIInChI=1S/C4H8BrO3P/c5-3-1-2-4-8-9(6)7/h1-4H2/p+1
InChIKeyFOLMPGLXBVJHHD-UHFFFAOYSA-O
XLogP1.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.99
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromopropoxy-hydroxy-oxophosphanium
CID 87515088
hydroxy-(12-hydroxydodecoxy)-oxophosphanium
CID 172856104
alumane;hydroxy-oxo-pentoxyphosphanium
CID 175153464
2-bromoethoxy-hydroxy-oxophosphanium;N,N-dimethylmethanamine
CID 174957638
hydroxy-oxo-(6-phosphooxyhexoxy)phosphanium
CID 22644301
dipotassium;butoxy-hydroxy-oxophosphanium;hydride
CID 173240292
hydroxy-oxo-(4-oxobutoxy)phosphanium
CID 172768343
2-aminoethoxy-hydroxy-oxophosphanium
CID 18512670
hydroxy-[10-(2-methylprop-2-enoyloxy)decoxy]-oxophosphanium
CID 23389450
CID 131882023
CID 131882023
1-bromo-6-hydroperoxyhexane
CID 11095574
methyl-[6-[methyl(oxo)phosphaniumyl]oxyhexoxy]-oxophosphanium
CID 23393003

Frequently Asked Questions

What is the IUPAC name of 4-bromobutoxy-hydroxy-oxophosphanium?
The IUPAC name of 4-bromobutoxy-hydroxy-oxophosphanium (CID 13262446) is 4-bromobutoxy-hydroxy-oxophosphanium.
What is the SMILES notation for 4-bromobutoxy-hydroxy-oxophosphanium?
The canonical SMILES for 4-bromobutoxy-hydroxy-oxophosphanium is O=[P+](O)OCCCCBr.
What is the InChIKey of 4-bromobutoxy-hydroxy-oxophosphanium?
The InChIKey is FOLMPGLXBVJHHD-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H8BrO3P/c5-3-1-2-4-8-9(6)7/h1-4H2/p+1.
What are the key properties of 4-bromobutoxy-hydroxy-oxophosphanium?
4-bromobutoxy-hydroxy-oxophosphanium has a molecular weight of 215.99 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromobutoxy-hydroxy-oxophosphanium is sourced from PubChem (CID 13262446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).