boric acid;2-[2-hydroxyethoxy(2-phenylethenyl)amino]oxyethanol

C12H20BNO7 — CID 175076486

IUPACboric acid;2-[2-hydroxyethoxy(2-phenylethenyl)amino]oxyethanol
SMILESOB(O)O.OCCON(C=Cc1ccccc1)OCCO
InChIInChI=1S/C12H17NO4.BH3O3/c14-8-10-16-13(17-11-9-15)7-6-12-4-2-1-3-5-12;2-1(3)4/h1-7,14-15H,8-11H2;2-4H
InChIKeyUIBPJINYUSVCAC-UHFFFAOYSA-N
MW301.10 g/mol
LogP-1.24
Rot. Bonds8

About boric acid;2-[2-hydroxyethoxy(2-phenylethenyl)amino]oxyethanol

boric acid;2-[2-hydroxyethoxy(2-phenylethenyl)amino]oxyethanol (PubChem CID 175076486) has the molecular formula C12H20BNO7 and a molecular weight of 301.10 g/mol. Its IUPAC name is boric acid;2-[2-hydroxyethoxy(2-phenylethenyl)amino]oxyethanol.

Molecular Properties

Compound Nameboric acid;2-[2-hydroxyethoxy(2-phenylethenyl)amino]oxyethanol
PubChem CID175076486
Molecular FormulaC12H20BNO7
Molecular Weight301.10 g/mol
Exact Mass301.13
IUPAC Nameboric acid;2-[2-hydroxyethoxy(2-phenylethenyl)amino]oxyethanol
SMILESOB(O)O.OCCON(C=Cc1ccccc1)OCCO
InChIInChI=1S/C12H17NO4.BH3O3/c14-8-10-16-13(17-11-9-15)7-6-12-4-2-1-3-5-12;2-1(3)4/h1-7,14-15H,8-11H2;2-4H
InChIKeyUIBPJINYUSVCAC-UHFFFAOYSA-N
XLogP-1.24
TPSA122.85 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.10
LogP ≤ 5-1.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-hydroxyethoxy(2-phenylethenyl)amino]oxyethanol
CID 175076487
2-[(Z)-3-phenylprop-2-enoxy]ethanol
CID 11679907
2-[4-[2-[4-[bis(2-hydroxyethoxy)amino]phenyl]ethenyl]-N-(2-hydroxyethoxy)anilino]oxyethanol
CID 173272020
2-[2-(2-phenylethenyl)phenoxy]ethanol
CID 70576558
pentan-1-ol;(E)-stilbene
CID 172553874
2-[methyl-[(E)-3-phenylprop-2-enyl]amino]ethanol
CID 14988338
disodium;hydride;(E)-stilbene
CID 173089328
hydride;rubidium(1+);stilbene
CID 173437843
(E)-9-phenylnon-8-en-1-ol
CID 10489025
5-hydroxypentyl 3-phenylprop-2-enoate
CID 71335867
4-[2-[4-[bis(2-hydroxyethoxy)amino]phenyl]ethenyl]benzaldehyde
CID 173326260
boric acid;2-[2-hydroxyethyl-[2-(4-methylphenyl)ethenyl]amino]ethanol
CID 175194087

Frequently Asked Questions

What is the IUPAC name of boric acid;2-[2-hydroxyethoxy(2-phenylethenyl)amino]oxyethanol?
The IUPAC name of boric acid;2-[2-hydroxyethoxy(2-phenylethenyl)amino]oxyethanol (CID 175076486) is boric acid;2-[2-hydroxyethoxy(2-phenylethenyl)amino]oxyethanol.
What is the SMILES notation for boric acid;2-[2-hydroxyethoxy(2-phenylethenyl)amino]oxyethanol?
The canonical SMILES for boric acid;2-[2-hydroxyethoxy(2-phenylethenyl)amino]oxyethanol is OB(O)O.OCCON(C=Cc1ccccc1)OCCO.
What is the InChIKey of boric acid;2-[2-hydroxyethoxy(2-phenylethenyl)amino]oxyethanol?
The InChIKey is UIBPJINYUSVCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4.BH3O3/c14-8-10-16-13(17-11-9-15)7-6-12-4-2-1-3-5-12;2-1(3)4/h1-7,14-15H,8-11H2;2-4H.
What are the key properties of boric acid;2-[2-hydroxyethoxy(2-phenylethenyl)amino]oxyethanol?
boric acid;2-[2-hydroxyethoxy(2-phenylethenyl)amino]oxyethanol has a molecular weight of 301.10 g/mol, XLogP of -1.24, 8 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;2-[2-hydroxyethoxy(2-phenylethenyl)amino]oxyethanol is sourced from PubChem (CID 175076486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).