2-(2-hydroxyethylamino)ethanol;2-phenoxyethyl phosphate

C12H20NO7P-2 — CID 21125272

IUPAC2-(2-hydroxyethylamino)ethanol;2-phenoxyethyl phosphate
SMILESO=P([O-])([O-])OCCOc1ccccc1.OCCNCCO
InChIInChI=1S/C8H11O5P.C4H11NO2/c9-14(10,11)13-7-6-12-8-4-2-1-3-5-8;6-3-1-5-2-4-7/h1-5H,6-7H2,(H2,9,10,11);5-7H,1-4H2/p-2
InChIKeyVABAWPAYYQNQPT-UHFFFAOYSA-L
MW321.27 g/mol
LogP-1.53
Rot. Bonds9

About 2-(2-hydroxyethylamino)ethanol;2-phenoxyethyl phosphate

2-(2-hydroxyethylamino)ethanol;2-phenoxyethyl phosphate (PubChem CID 21125272) has the molecular formula C12H20NO7P-2 and a molecular weight of 321.27 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)ethanol;2-phenoxyethyl phosphate.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)ethanol;2-phenoxyethyl phosphate
PubChem CID21125272
Molecular FormulaC12H20NO7P-2
Molecular Weight321.27 g/mol
Exact Mass321.10
IUPAC Name2-(2-hydroxyethylamino)ethanol;2-phenoxyethyl phosphate
SMILESO=P([O-])([O-])OCCOc1ccccc1.OCCNCCO
InChIInChI=1S/C8H11O5P.C4H11NO2/c9-14(10,11)13-7-6-12-8-4-2-1-3-5-8;6-3-1-5-2-4-7/h1-5H,6-7H2,(H2,9,10,11);5-7H,1-4H2/p-2
InChIKeyVABAWPAYYQNQPT-UHFFFAOYSA-L
XLogP-1.53
TPSA134.14 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.27
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxyethylamino)ethyl phosphate
CID 20841714
formic acid;2-phenoxyethanol
CID 71438669
3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride
CID 18793133
N-(2-hydroxyethyl)-2-(2-phenoxyethoxy)acetamide
CID 78883192
2-(methylamino)ethanol;4-phenoxybutanal
CID 163225392
2-(2-phenoxyethoxy)ethanol
CID 7715
2-[2-[2-(4-bromophenoxy)ethoxy]ethylamino]ethanol;oxalic acid
CID 2869727
benzyl bis(2-phenoxyethyl) phosphate
CID 159104458
2-[hydroxy(2-phenoxyethoxy)phosphoryl]oxyethyl-trimethylazanium
CID 10881215
2-(2-phenoxyethoxy)ethanol;hydrate
CID 176895463
2-(sulfinoamino)ethoxybenzene
CID 19891359
2-(2-phenoxyethylamino)acetic acid
CID 13236095

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)ethanol;2-phenoxyethyl phosphate?
The IUPAC name of 2-(2-hydroxyethylamino)ethanol;2-phenoxyethyl phosphate (CID 21125272) is 2-(2-hydroxyethylamino)ethanol;2-phenoxyethyl phosphate.
What is the SMILES notation for 2-(2-hydroxyethylamino)ethanol;2-phenoxyethyl phosphate?
The canonical SMILES for 2-(2-hydroxyethylamino)ethanol;2-phenoxyethyl phosphate is O=P([O-])([O-])OCCOc1ccccc1.OCCNCCO.
What is the InChIKey of 2-(2-hydroxyethylamino)ethanol;2-phenoxyethyl phosphate?
The InChIKey is VABAWPAYYQNQPT-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H11O5P.C4H11NO2/c9-14(10,11)13-7-6-12-8-4-2-1-3-5-8;6-3-1-5-2-4-7/h1-5H,6-7H2,(H2,9,10,11);5-7H,1-4H2/p-2.
What are the key properties of 2-(2-hydroxyethylamino)ethanol;2-phenoxyethyl phosphate?
2-(2-hydroxyethylamino)ethanol;2-phenoxyethyl phosphate has a molecular weight of 321.27 g/mol, XLogP of -1.53, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)ethanol;2-phenoxyethyl phosphate is sourced from PubChem (CID 21125272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).