2-hydroxyethoxy(phenyl)borinic acid;toluene

C15H19BO3 — CID 19899525

IUPAC2-hydroxyethoxy(phenyl)borinic acid;toluene
SMILESCc1ccccc1.OCCOB(O)c1ccccc1
InChIInChI=1S/C8H11BO3.C7H8/c10-6-7-12-9(11)8-4-2-1-3-5-8;1-7-5-3-2-4-6-7/h1-5,10-11H,6-7H2;2-6H,1H3
InChIKeyFOEAAVFEFVCIHA-UHFFFAOYSA-N
MW258.13 g/mol
LogP1.38
Rot. Bonds4

About 2-hydroxyethoxy(phenyl)borinic acid;toluene

2-hydroxyethoxy(phenyl)borinic acid;toluene (PubChem CID 19899525) has the molecular formula C15H19BO3 and a molecular weight of 258.13 g/mol. Its IUPAC name is 2-hydroxyethoxy(phenyl)borinic acid;toluene.

Molecular Properties

Compound Name2-hydroxyethoxy(phenyl)borinic acid;toluene
PubChem CID19899525
Molecular FormulaC15H19BO3
Molecular Weight258.13 g/mol
Exact Mass258.14
IUPAC Name2-hydroxyethoxy(phenyl)borinic acid;toluene
SMILESCc1ccccc1.OCCOB(O)c1ccccc1
InChIInChI=1S/C8H11BO3.C7H8/c10-6-7-12-9(11)8-4-2-1-3-5-8;1-7-5-3-2-4-6-7/h1-5,10-11H,6-7H2;2-6H,1H3
InChIKeyFOEAAVFEFVCIHA-UHFFFAOYSA-N
XLogP1.38
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.13
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-hydroxyethoxy(phenyl)borinic acid;toluene?
The IUPAC name of 2-hydroxyethoxy(phenyl)borinic acid;toluene (CID 19899525) is 2-hydroxyethoxy(phenyl)borinic acid;toluene.
What is the SMILES notation for 2-hydroxyethoxy(phenyl)borinic acid;toluene?
The canonical SMILES for 2-hydroxyethoxy(phenyl)borinic acid;toluene is Cc1ccccc1.OCCOB(O)c1ccccc1.
What is the InChIKey of 2-hydroxyethoxy(phenyl)borinic acid;toluene?
The InChIKey is FOEAAVFEFVCIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BO3.C7H8/c10-6-7-12-9(11)8-4-2-1-3-5-8;1-7-5-3-2-4-6-7/h1-5,10-11H,6-7H2;2-6H,1H3.
What are the key properties of 2-hydroxyethoxy(phenyl)borinic acid;toluene?
2-hydroxyethoxy(phenyl)borinic acid;toluene has a molecular weight of 258.13 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethoxy(phenyl)borinic acid;toluene is sourced from PubChem (CID 19899525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).