2-(1-hydroxy-6-phenoxy-3H-2,1-benzoxaborol-3-yl)ethanol

C15H15BO4 — CID 59525392

IUPAC2-(1-hydroxy-6-phenoxy-3H-2,1-benzoxaborol-3-yl)ethanol
SMILESOCCC1OB(O)c2cc(Oc3ccccc3)ccc21
InChIInChI=1S/C15H15BO4/c17-9-8-15-13-7-6-12(10-14(13)16(18)20-15)19-11-4-2-1-3-5-11/h1-7,10,15,17-18H,8-9H2
InChIKeyRPTNCIKPJYISMO-UHFFFAOYSA-N
MW270.09 g/mol
LogP1.62
Rot. Bonds4

About 2-(1-hydroxy-6-phenoxy-3H-2,1-benzoxaborol-3-yl)ethanol

2-(1-hydroxy-6-phenoxy-3H-2,1-benzoxaborol-3-yl)ethanol (PubChem CID 59525392) has the molecular formula C15H15BO4 and a molecular weight of 270.09 g/mol. Its IUPAC name is 2-(1-hydroxy-6-phenoxy-3H-2,1-benzoxaborol-3-yl)ethanol.

Molecular Properties

Compound Name2-(1-hydroxy-6-phenoxy-3H-2,1-benzoxaborol-3-yl)ethanol
PubChem CID59525392
Molecular FormulaC15H15BO4
Molecular Weight270.09 g/mol
Exact Mass270.11
IUPAC Name2-(1-hydroxy-6-phenoxy-3H-2,1-benzoxaborol-3-yl)ethanol
SMILESOCCC1OB(O)c2cc(Oc3ccccc3)ccc21
InChIInChI=1S/C15H15BO4/c17-9-8-15-13-7-6-12(10-14(13)16(18)20-15)19-11-4-2-1-3-5-11/h1-7,10,15,17-18H,8-9H2
InChIKeyRPTNCIKPJYISMO-UHFFFAOYSA-N
XLogP1.62
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.09
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(1-hydroxy-6-phenoxy-3H-2,1-benzoxaborol-3-yl)ethanol?
The IUPAC name of 2-(1-hydroxy-6-phenoxy-3H-2,1-benzoxaborol-3-yl)ethanol (CID 59525392) is 2-(1-hydroxy-6-phenoxy-3H-2,1-benzoxaborol-3-yl)ethanol.
What is the SMILES notation for 2-(1-hydroxy-6-phenoxy-3H-2,1-benzoxaborol-3-yl)ethanol?
The canonical SMILES for 2-(1-hydroxy-6-phenoxy-3H-2,1-benzoxaborol-3-yl)ethanol is OCCC1OB(O)c2cc(Oc3ccccc3)ccc21.
What is the InChIKey of 2-(1-hydroxy-6-phenoxy-3H-2,1-benzoxaborol-3-yl)ethanol?
The InChIKey is RPTNCIKPJYISMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BO4/c17-9-8-15-13-7-6-12(10-14(13)16(18)20-15)19-11-4-2-1-3-5-11/h1-7,10,15,17-18H,8-9H2.
What are the key properties of 2-(1-hydroxy-6-phenoxy-3H-2,1-benzoxaborol-3-yl)ethanol?
2-(1-hydroxy-6-phenoxy-3H-2,1-benzoxaborol-3-yl)ethanol has a molecular weight of 270.09 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-6-phenoxy-3H-2,1-benzoxaborol-3-yl)ethanol is sourced from PubChem (CID 59525392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).