1-hydroxy-3-phenyl-3H-2,1-benzoxaborole

C13H11BO2 — CID 23642211

IUPAC1-hydroxy-3-phenyl-3H-2,1-benzoxaborole
SMILESOB1OC(c2ccccc2)c2ccccc21
InChIInChI=1S/C13H11BO2/c15-14-12-9-5-4-8-11(12)13(16-14)10-6-2-1-3-7-10/h1-9,13,15H
InChIKeyUJEQOMQHKUCKBE-UHFFFAOYSA-N
MW210.04 g/mol
LogP1.49
Rot. Bonds1

About 1-hydroxy-3-phenyl-3H-2,1-benzoxaborole

1-hydroxy-3-phenyl-3H-2,1-benzoxaborole (PubChem CID 23642211) has the molecular formula C13H11BO2 and a molecular weight of 210.04 g/mol. Its IUPAC name is 1-hydroxy-3-phenyl-3H-2,1-benzoxaborole.

Molecular Properties

Compound Name1-hydroxy-3-phenyl-3H-2,1-benzoxaborole
PubChem CID23642211
Molecular FormulaC13H11BO2
Molecular Weight210.04 g/mol
Exact Mass210.09
IUPAC Name1-hydroxy-3-phenyl-3H-2,1-benzoxaborole
SMILESOB1OC(c2ccccc2)c2ccccc21
InChIInChI=1S/C13H11BO2/c15-14-12-9-5-4-8-11(12)13(16-14)10-6-2-1-3-7-10/h1-9,13,15H
InChIKeyUJEQOMQHKUCKBE-UHFFFAOYSA-N
XLogP1.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.04
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-hydroxy-3-phenyl-3H-2,1-benzoxaborole?
The IUPAC name of 1-hydroxy-3-phenyl-3H-2,1-benzoxaborole (CID 23642211) is 1-hydroxy-3-phenyl-3H-2,1-benzoxaborole.
What is the SMILES notation for 1-hydroxy-3-phenyl-3H-2,1-benzoxaborole?
The canonical SMILES for 1-hydroxy-3-phenyl-3H-2,1-benzoxaborole is OB1OC(c2ccccc2)c2ccccc21.
What is the InChIKey of 1-hydroxy-3-phenyl-3H-2,1-benzoxaborole?
The InChIKey is UJEQOMQHKUCKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BO2/c15-14-12-9-5-4-8-11(12)13(16-14)10-6-2-1-3-7-10/h1-9,13,15H.
What are the key properties of 1-hydroxy-3-phenyl-3H-2,1-benzoxaborole?
1-hydroxy-3-phenyl-3H-2,1-benzoxaborole has a molecular weight of 210.04 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-phenyl-3H-2,1-benzoxaborole is sourced from PubChem (CID 23642211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).