3-bromopropoxy-hydroxy-oxophosphanium

C3H7BrO3P+ — CID 87515088

IUPAC3-bromopropoxy-hydroxy-oxophosphanium
SMILESO=[P+](O)OCCCBr
InChIInChI=1S/C3H6BrO3P/c4-2-1-3-7-8(5)6/h1-3H2/p+1
InChIKeySBMAXCFTMWTWDK-UHFFFAOYSA-O
MW201.96 g/mol
LogP1.44
Rot. Bonds4

About 3-bromopropoxy-hydroxy-oxophosphanium

3-bromopropoxy-hydroxy-oxophosphanium (PubChem CID 87515088) has the molecular formula C3H7BrO3P+ and a molecular weight of 201.96 g/mol. Its IUPAC name is 3-bromopropoxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Name3-bromopropoxy-hydroxy-oxophosphanium
PubChem CID87515088
Molecular FormulaC3H7BrO3P+
Molecular Weight201.96 g/mol
Exact Mass200.93
IUPAC Name3-bromopropoxy-hydroxy-oxophosphanium
SMILESO=[P+](O)OCCCBr
InChIInChI=1S/C3H6BrO3P/c4-2-1-3-7-8(5)6/h1-3H2/p+1
InChIKeySBMAXCFTMWTWDK-UHFFFAOYSA-O
XLogP1.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.96
LogP ≤ 51.44
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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Frequently Asked Questions

What is the IUPAC name of 3-bromopropoxy-hydroxy-oxophosphanium?
The IUPAC name of 3-bromopropoxy-hydroxy-oxophosphanium (CID 87515088) is 3-bromopropoxy-hydroxy-oxophosphanium.
What is the SMILES notation for 3-bromopropoxy-hydroxy-oxophosphanium?
The canonical SMILES for 3-bromopropoxy-hydroxy-oxophosphanium is O=[P+](O)OCCCBr.
What is the InChIKey of 3-bromopropoxy-hydroxy-oxophosphanium?
The InChIKey is SBMAXCFTMWTWDK-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H6BrO3P/c4-2-1-3-7-8(5)6/h1-3H2/p+1.
What are the key properties of 3-bromopropoxy-hydroxy-oxophosphanium?
3-bromopropoxy-hydroxy-oxophosphanium has a molecular weight of 201.96 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromopropoxy-hydroxy-oxophosphanium is sourced from PubChem (CID 87515088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).