2-[2,3-dibromopropyl(2-hydroxyethoxy)phosphoryl]oxyethanol

C7H15Br2O5P — CID 23343610

IUPAC2-[2,3-dibromopropyl(2-hydroxyethoxy)phosphoryl]oxyethanol
SMILESO=P(CC(Br)CBr)(OCCO)OCCO
InChIInChI=1S/C7H15Br2O5P/c8-5-7(9)6-15(12,13-3-1-10)14-4-2-11/h7,10-11H,1-6H2
InChIKeyKLEJBTFNQBCCHP-UHFFFAOYSA-N
MW369.97 g/mol
LogP1.36
Rot. Bonds9

About 2-[2,3-dibromopropyl(2-hydroxyethoxy)phosphoryl]oxyethanol

2-[2,3-dibromopropyl(2-hydroxyethoxy)phosphoryl]oxyethanol (PubChem CID 23343610) has the molecular formula C7H15Br2O5P and a molecular weight of 369.97 g/mol. Its IUPAC name is 2-[2,3-dibromopropyl(2-hydroxyethoxy)phosphoryl]oxyethanol.

Molecular Properties

Compound Name2-[2,3-dibromopropyl(2-hydroxyethoxy)phosphoryl]oxyethanol
PubChem CID23343610
Molecular FormulaC7H15Br2O5P
Molecular Weight369.97 g/mol
Exact Mass367.90
IUPAC Name2-[2,3-dibromopropyl(2-hydroxyethoxy)phosphoryl]oxyethanol
SMILESO=P(CC(Br)CBr)(OCCO)OCCO
InChIInChI=1S/C7H15Br2O5P/c8-5-7(9)6-15(12,13-3-1-10)14-4-2-11/h7,10-11H,1-6H2
InChIKeyKLEJBTFNQBCCHP-UHFFFAOYSA-N
XLogP1.36
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.97
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[2,3-dibromopropoxy(2,3-dibromopropyl)phosphoryl]oxyethyl]phenol
CID 88795400
2,3-dibromopropoxy(2,3-dibromopropyl)phosphinic acid
CID 88814489
tris[(2R)-2,3-dibromopropyl] phosphate
CID 76964191
CID 131878530
CID 131878530
2-hydroxyethyl dihydrogen phosphate;phosphoric acid
CID 155226574
sodium 2,3-dibromopropyl hydrogen phosphate
CID 23705153
magnesium 2,3-dibromopropyl hydrogen phosphate
CID 21124047
dicalcium;hydride;2-hydroxyethyl dihydrogen phosphate
CID 174231614
ethene;2-hydroxyethyl dihydrogen phosphate
CID 173023199
2-[butoxy-[2-(propan-2-ylamino)ethyl]phosphoryl]oxyethanol
CID 167255423
1,2-dibromo-3-[1,2-dibromoethyl(2,3-dibromopropoxy)phosphoryl]oxypropane
CID 54507285
2-[(2-amino-2-oxoethoxy)-hydroxyphosphoryl]oxyethyl (2-amino-2-oxoethyl) 2-hydroxyethyl phosphate
CID 88817359

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dibromopropyl(2-hydroxyethoxy)phosphoryl]oxyethanol?
The IUPAC name of 2-[2,3-dibromopropyl(2-hydroxyethoxy)phosphoryl]oxyethanol (CID 23343610) is 2-[2,3-dibromopropyl(2-hydroxyethoxy)phosphoryl]oxyethanol.
What is the SMILES notation for 2-[2,3-dibromopropyl(2-hydroxyethoxy)phosphoryl]oxyethanol?
The canonical SMILES for 2-[2,3-dibromopropyl(2-hydroxyethoxy)phosphoryl]oxyethanol is O=P(CC(Br)CBr)(OCCO)OCCO.
What is the InChIKey of 2-[2,3-dibromopropyl(2-hydroxyethoxy)phosphoryl]oxyethanol?
The InChIKey is KLEJBTFNQBCCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15Br2O5P/c8-5-7(9)6-15(12,13-3-1-10)14-4-2-11/h7,10-11H,1-6H2.
What are the key properties of 2-[2,3-dibromopropyl(2-hydroxyethoxy)phosphoryl]oxyethanol?
2-[2,3-dibromopropyl(2-hydroxyethoxy)phosphoryl]oxyethanol has a molecular weight of 369.97 g/mol, XLogP of 1.36, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dibromopropyl(2-hydroxyethoxy)phosphoryl]oxyethanol is sourced from PubChem (CID 23343610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).