2-[(3R)-1-hydroxy-3H-2,1-benzoxaborol-3-yl]ethanol

C9H11BO3 — CID 124636996

IUPAC2-[(3R)-1-hydroxy-3H-2,1-benzoxaborol-3-yl]ethanol
SMILESOCC[C@H]1OB(O)c2ccccc21
InChIInChI=1S/C9H11BO3/c11-6-5-9-7-3-1-2-4-8(7)10(12)13-9/h1-4,9,11-12H,5-6H2/t9-/m1/s1
InChIKeyWSCRIAYFMQNTKR-SECBINFHSA-N
MW178.00 g/mol
LogP-0.17
Rot. Bonds2

About 2-[(3R)-1-hydroxy-3H-2,1-benzoxaborol-3-yl]ethanol

2-[(3R)-1-hydroxy-3H-2,1-benzoxaborol-3-yl]ethanol (PubChem CID 124636996) has the molecular formula C9H11BO3 and a molecular weight of 178.00 g/mol. Its IUPAC name is 2-[(3R)-1-hydroxy-3H-2,1-benzoxaborol-3-yl]ethanol.

Molecular Properties

Compound Name2-[(3R)-1-hydroxy-3H-2,1-benzoxaborol-3-yl]ethanol
PubChem CID124636996
Molecular FormulaC9H11BO3
Molecular Weight178.00 g/mol
Exact Mass178.08
IUPAC Name2-[(3R)-1-hydroxy-3H-2,1-benzoxaborol-3-yl]ethanol
SMILESOCC[C@H]1OB(O)c2ccccc21
InChIInChI=1S/C9H11BO3/c11-6-5-9-7-3-1-2-4-8(7)10(12)13-9/h1-4,9,11-12H,5-6H2/t9-/m1/s1
InChIKeyWSCRIAYFMQNTKR-SECBINFHSA-N
XLogP-0.17
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.00
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(3R)-1-hydroxy-3H-2,1-benzoxaborol-3-yl]ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-hydroxy-3H-2,1-benzoxaborol-3-yl]ethanol?
The IUPAC name of 2-[(3R)-1-hydroxy-3H-2,1-benzoxaborol-3-yl]ethanol (CID 124636996) is 2-[(3R)-1-hydroxy-3H-2,1-benzoxaborol-3-yl]ethanol.
What is the SMILES notation for 2-[(3R)-1-hydroxy-3H-2,1-benzoxaborol-3-yl]ethanol?
The canonical SMILES for 2-[(3R)-1-hydroxy-3H-2,1-benzoxaborol-3-yl]ethanol is OCC[C@H]1OB(O)c2ccccc21.
What is the InChIKey of 2-[(3R)-1-hydroxy-3H-2,1-benzoxaborol-3-yl]ethanol?
The InChIKey is WSCRIAYFMQNTKR-SECBINFHSA-N. The full InChI is InChI=1S/C9H11BO3/c11-6-5-9-7-3-1-2-4-8(7)10(12)13-9/h1-4,9,11-12H,5-6H2/t9-/m1/s1.
What are the key properties of 2-[(3R)-1-hydroxy-3H-2,1-benzoxaborol-3-yl]ethanol?
2-[(3R)-1-hydroxy-3H-2,1-benzoxaborol-3-yl]ethanol has a molecular weight of 178.00 g/mol, XLogP of -0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-hydroxy-3H-2,1-benzoxaborol-3-yl]ethanol is sourced from PubChem (CID 124636996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).