1-[2-bromoethyl(1-hydroxyethyl)phosphoryl]ethanol

C6H14BrO3P — CID 88561014

IUPAC1-[2-bromoethyl(1-hydroxyethyl)phosphoryl]ethanol
SMILESCC(O)P(=O)(CCBr)C(C)O
InChIInChI=1S/C6H14BrO3P/c1-5(8)11(10,4-3-7)6(2)9/h5-6,8-9H,3-4H2,1-2H3
InChIKeyDWFYUNXVUVLVFY-UHFFFAOYSA-N
MW245.05 g/mol
LogP1.42
Rot. Bonds4

About 1-[2-bromoethyl(1-hydroxyethyl)phosphoryl]ethanol

1-[2-bromoethyl(1-hydroxyethyl)phosphoryl]ethanol (PubChem CID 88561014) has the molecular formula C6H14BrO3P and a molecular weight of 245.05 g/mol. Its IUPAC name is 1-[2-bromoethyl(1-hydroxyethyl)phosphoryl]ethanol.

Molecular Properties

Compound Name1-[2-bromoethyl(1-hydroxyethyl)phosphoryl]ethanol
PubChem CID88561014
Molecular FormulaC6H14BrO3P
Molecular Weight245.05 g/mol
Exact Mass243.99
IUPAC Name1-[2-bromoethyl(1-hydroxyethyl)phosphoryl]ethanol
SMILESCC(O)P(=O)(CCBr)C(C)O
InChIInChI=1S/C6H14BrO3P/c1-5(8)11(10,4-3-7)6(2)9/h5-6,8-9H,3-4H2,1-2H3
InChIKeyDWFYUNXVUVLVFY-UHFFFAOYSA-N
XLogP1.42
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.05
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 1-[2-bromoethyl(1-hydroxyethyl)phosphoryl]ethanol?
The IUPAC name of 1-[2-bromoethyl(1-hydroxyethyl)phosphoryl]ethanol (CID 88561014) is 1-[2-bromoethyl(1-hydroxyethyl)phosphoryl]ethanol.
What is the SMILES notation for 1-[2-bromoethyl(1-hydroxyethyl)phosphoryl]ethanol?
The canonical SMILES for 1-[2-bromoethyl(1-hydroxyethyl)phosphoryl]ethanol is CC(O)P(=O)(CCBr)C(C)O.
What is the InChIKey of 1-[2-bromoethyl(1-hydroxyethyl)phosphoryl]ethanol?
The InChIKey is DWFYUNXVUVLVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14BrO3P/c1-5(8)11(10,4-3-7)6(2)9/h5-6,8-9H,3-4H2,1-2H3.
What are the key properties of 1-[2-bromoethyl(1-hydroxyethyl)phosphoryl]ethanol?
1-[2-bromoethyl(1-hydroxyethyl)phosphoryl]ethanol has a molecular weight of 245.05 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromoethyl(1-hydroxyethyl)phosphoryl]ethanol is sourced from PubChem (CID 88561014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).