ethoxyethane;phosphoric acid;propane-1,2,3-triol

C7H21O8P — CID 87153916

IUPACethoxyethane;phosphoric acid;propane-1,2,3-triol
SMILESCCOCC.O=P(O)(O)O.OCC(O)CO
InChIInChI=1S/C4H10O.C3H8O3.H3O4P/c1-3-5-4-2;4-1-3(6)2-5;1-5(2,3)4/h3-4H2,1-2H3;3-6H,1-2H2;(H3,1,2,3,4)
InChIKeyBDKOTYCPVXMJFR-UHFFFAOYSA-N
MW264.21 g/mol
LogP-1.55
Rot. Bonds4

About ethoxyethane;phosphoric acid;propane-1,2,3-triol

ethoxyethane;phosphoric acid;propane-1,2,3-triol (PubChem CID 87153916) has the molecular formula C7H21O8P and a molecular weight of 264.21 g/mol. Its IUPAC name is ethoxyethane;phosphoric acid;propane-1,2,3-triol.

Molecular Properties

Compound Nameethoxyethane;phosphoric acid;propane-1,2,3-triol
PubChem CID87153916
Molecular FormulaC7H21O8P
Molecular Weight264.21 g/mol
Exact Mass264.10
IUPAC Nameethoxyethane;phosphoric acid;propane-1,2,3-triol
SMILESCCOCC.O=P(O)(O)O.OCC(O)CO
InChIInChI=1S/C4H10O.C3H8O3.H3O4P/c1-3-5-4-2;4-1-3(6)2-5;1-5(2,3)4/h3-4H2,1-2H3;3-6H,1-2H2;(H3,1,2,3,4)
InChIKeyBDKOTYCPVXMJFR-UHFFFAOYSA-N
XLogP-1.55
TPSA147.68 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.21
LogP ≤ 5-1.55
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethoxyethane;phosphoric acid;propane-1,2,3-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethoxyethane;decakis(propane-1,2,3-triol)
CID 173290324
ethene;ethoxyethane;propane-1,2,3-triol
CID 175604440
azane;ethoxyethane;phosphoric acid;propan-2-ol
CID 174578801
iron;phosphoric acid;propane-1,2,3-triol
CID 160506049
CID 87292853
CID 87292853
butane-1,1-diol;ethoxyethane;propane-1,2,3-triol
CID 87275832
phosphoric acid;propane-1,2,3-triol;sulfuric acid
CID 158330502
tris(dipropylphosphinic acid);propane-1,2,3-triol
CID 173171073
ethyl acetate;propane-1,2,3-triol
CID 23448368
sodium;3-ethoxypropane-1,2-diol;hydride
CID 173234204
ethoxyethane;hexane-1,2,6-triol
CID 19434693
2-methylprop-2-enoic acid;phosphoric acid;propane-1,2,3-triol
CID 122512063

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;phosphoric acid;propane-1,2,3-triol?
The IUPAC name of ethoxyethane;phosphoric acid;propane-1,2,3-triol (CID 87153916) is ethoxyethane;phosphoric acid;propane-1,2,3-triol.
What is the SMILES notation for ethoxyethane;phosphoric acid;propane-1,2,3-triol?
The canonical SMILES for ethoxyethane;phosphoric acid;propane-1,2,3-triol is CCOCC.O=P(O)(O)O.OCC(O)CO.
What is the InChIKey of ethoxyethane;phosphoric acid;propane-1,2,3-triol?
The InChIKey is BDKOTYCPVXMJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C3H8O3.H3O4P/c1-3-5-4-2;4-1-3(6)2-5;1-5(2,3)4/h3-4H2,1-2H3;3-6H,1-2H2;(H3,1,2,3,4).
What are the key properties of ethoxyethane;phosphoric acid;propane-1,2,3-triol?
ethoxyethane;phosphoric acid;propane-1,2,3-triol has a molecular weight of 264.21 g/mol, XLogP of -1.55, 4 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;phosphoric acid;propane-1,2,3-triol is sourced from PubChem (CID 87153916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).