1-hydroxy-5-methyl-3,7-dihydrooxaborolo[3,4-f][2,1]benzoxaborole

C9H10B2O3 — CID 59420255

IUPAC1-hydroxy-5-methyl-3,7-dihydrooxaborolo[3,4-f][2,1]benzoxaborole
SMILESCB1OCc2cc3c(cc21)COB3O
InChIInChI=1S/C9H10B2O3/c1-10-8-2-7-5-14-11(12)9(7)3-6(8)4-13-10/h2-3,12H,4-5H2,1H3
InChIKeyWDLJXYFGEGLNIS-UHFFFAOYSA-N
MW187.80 g/mol
LogP-0.74
Rot. Bonds

About 1-hydroxy-5-methyl-3,7-dihydrooxaborolo[3,4-f][2,1]benzoxaborole

1-hydroxy-5-methyl-3,7-dihydrooxaborolo[3,4-f][2,1]benzoxaborole (PubChem CID 59420255) has the molecular formula C9H10B2O3 and a molecular weight of 187.80 g/mol. Its IUPAC name is 1-hydroxy-5-methyl-3,7-dihydrooxaborolo[3,4-f][2,1]benzoxaborole.

Molecular Properties

Compound Name1-hydroxy-5-methyl-3,7-dihydrooxaborolo[3,4-f][2,1]benzoxaborole
PubChem CID59420255
Molecular FormulaC9H10B2O3
Molecular Weight187.80 g/mol
Exact Mass188.08
IUPAC Name1-hydroxy-5-methyl-3,7-dihydrooxaborolo[3,4-f][2,1]benzoxaborole
SMILESCB1OCc2cc3c(cc21)COB3O
InChIInChI=1S/C9H10B2O3/c1-10-8-2-7-5-14-11(12)9(7)3-6(8)4-13-10/h2-3,12H,4-5H2,1H3
InChIKeyWDLJXYFGEGLNIS-UHFFFAOYSA-N
XLogP-0.74
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.80
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
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 1-hydroxy-5-methyl-3,7-dihydrooxaborolo[3,4-f][2,1]benzoxaborole?
The IUPAC name of 1-hydroxy-5-methyl-3,7-dihydrooxaborolo[3,4-f][2,1]benzoxaborole (CID 59420255) is 1-hydroxy-5-methyl-3,7-dihydrooxaborolo[3,4-f][2,1]benzoxaborole.
What is the SMILES notation for 1-hydroxy-5-methyl-3,7-dihydrooxaborolo[3,4-f][2,1]benzoxaborole?
The canonical SMILES for 1-hydroxy-5-methyl-3,7-dihydrooxaborolo[3,4-f][2,1]benzoxaborole is CB1OCc2cc3c(cc21)COB3O.
What is the InChIKey of 1-hydroxy-5-methyl-3,7-dihydrooxaborolo[3,4-f][2,1]benzoxaborole?
The InChIKey is WDLJXYFGEGLNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10B2O3/c1-10-8-2-7-5-14-11(12)9(7)3-6(8)4-13-10/h2-3,12H,4-5H2,1H3.
What are the key properties of 1-hydroxy-5-methyl-3,7-dihydrooxaborolo[3,4-f][2,1]benzoxaborole?
1-hydroxy-5-methyl-3,7-dihydrooxaborolo[3,4-f][2,1]benzoxaborole has a molecular weight of 187.80 g/mol, XLogP of -0.74, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-5-methyl-3,7-dihydrooxaborolo[3,4-f][2,1]benzoxaborole is sourced from PubChem (CID 59420255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).