boric acid;2-[2-hydroxyethyl-[2-(4-methylphenyl)ethenyl]amino]ethanol

C13H22BNO5 — CID 175194087

IUPACboric acid;2-[2-hydroxyethyl-[2-(4-methylphenyl)ethenyl]amino]ethanol
SMILESCc1ccc(C=CN(CCO)CCO)cc1.OB(O)O
InChIInChI=1S/C13H19NO2.BH3O3/c1-12-2-4-13(5-3-12)6-7-14(8-10-15)9-11-16;2-1(3)4/h2-7,15-16H,8-11H2,1H3;2-4H
InChIKeyKMZXZDVKQUCANJ-UHFFFAOYSA-N
MW283.13 g/mol
LogP-0.80
Rot. Bonds6

About boric acid;2-[2-hydroxyethyl-[2-(4-methylphenyl)ethenyl]amino]ethanol

boric acid;2-[2-hydroxyethyl-[2-(4-methylphenyl)ethenyl]amino]ethanol (PubChem CID 175194087) has the molecular formula C13H22BNO5 and a molecular weight of 283.13 g/mol. Its IUPAC name is boric acid;2-[2-hydroxyethyl-[2-(4-methylphenyl)ethenyl]amino]ethanol.

Molecular Properties

Compound Nameboric acid;2-[2-hydroxyethyl-[2-(4-methylphenyl)ethenyl]amino]ethanol
PubChem CID175194087
Molecular FormulaC13H22BNO5
Molecular Weight283.13 g/mol
Exact Mass283.16
IUPAC Nameboric acid;2-[2-hydroxyethyl-[2-(4-methylphenyl)ethenyl]amino]ethanol
SMILESCc1ccc(C=CN(CCO)CCO)cc1.OB(O)O
InChIInChI=1S/C13H19NO2.BH3O3/c1-12-2-4-13(5-3-12)6-7-14(8-10-15)9-11-16;2-1(3)4/h2-7,15-16H,8-11H2,1H3;2-4H
InChIKeyKMZXZDVKQUCANJ-UHFFFAOYSA-N
XLogP-0.80
TPSA104.39 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.13
LogP ≤ 5-0.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of boric acid;2-[2-hydroxyethyl-[2-(4-methylphenyl)ethenyl]amino]ethanol?
The IUPAC name of boric acid;2-[2-hydroxyethyl-[2-(4-methylphenyl)ethenyl]amino]ethanol (CID 175194087) is boric acid;2-[2-hydroxyethyl-[2-(4-methylphenyl)ethenyl]amino]ethanol.
What is the SMILES notation for boric acid;2-[2-hydroxyethyl-[2-(4-methylphenyl)ethenyl]amino]ethanol?
The canonical SMILES for boric acid;2-[2-hydroxyethyl-[2-(4-methylphenyl)ethenyl]amino]ethanol is Cc1ccc(C=CN(CCO)CCO)cc1.OB(O)O.
What is the InChIKey of boric acid;2-[2-hydroxyethyl-[2-(4-methylphenyl)ethenyl]amino]ethanol?
The InChIKey is KMZXZDVKQUCANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2.BH3O3/c1-12-2-4-13(5-3-12)6-7-14(8-10-15)9-11-16;2-1(3)4/h2-7,15-16H,8-11H2,1H3;2-4H.
What are the key properties of boric acid;2-[2-hydroxyethyl-[2-(4-methylphenyl)ethenyl]amino]ethanol?
boric acid;2-[2-hydroxyethyl-[2-(4-methylphenyl)ethenyl]amino]ethanol has a molecular weight of 283.13 g/mol, XLogP of -0.80, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;2-[2-hydroxyethyl-[2-(4-methylphenyl)ethenyl]amino]ethanol is sourced from PubChem (CID 175194087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).