(1-methyl-3H-2,1-benzoxaborol-6-yl)methanol

C9H11BO2 — CID 146884186

IUPAC(1-methyl-3H-2,1-benzoxaborol-6-yl)methanol
SMILESCB1OCc2ccc(CO)cc21
InChIInChI=1S/C9H11BO2/c1-10-9-4-7(5-11)2-3-8(9)6-12-10/h2-4,11H,5-6H2,1H3
InChIKeySUVJYQNBIIWYFQ-UHFFFAOYSA-N
MW162.00 g/mol
LogP0.54
Rot. Bonds1

About (1-methyl-3H-2,1-benzoxaborol-6-yl)methanol

(1-methyl-3H-2,1-benzoxaborol-6-yl)methanol (PubChem CID 146884186) has the molecular formula C9H11BO2 and a molecular weight of 162.00 g/mol. Its IUPAC name is (1-methyl-3H-2,1-benzoxaborol-6-yl)methanol.

Molecular Properties

Compound Name(1-methyl-3H-2,1-benzoxaborol-6-yl)methanol
PubChem CID146884186
Molecular FormulaC9H11BO2
Molecular Weight162.00 g/mol
Exact Mass162.09
IUPAC Name(1-methyl-3H-2,1-benzoxaborol-6-yl)methanol
SMILESCB1OCc2ccc(CO)cc21
InChIInChI=1S/C9H11BO2/c1-10-9-4-7(5-11)2-3-8(9)6-12-10/h2-4,11H,5-6H2,1H3
InChIKeySUVJYQNBIIWYFQ-UHFFFAOYSA-N
XLogP0.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.00
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1-methyl-3H-2,1-benzoxaborol-6-yl)methyl]isoindole-1,3-dione
CID 167596796
2-(1-methyl-3H-2,1-benzoxaborol-6-yl)-1-pyridin-3-ylethanone
CID 58404268
1-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)propan-2-one
CID 58404079
ethyl 2-[(1-methyl-3H-2,1-benzoxaborol-6-yl)oxy]butanoate
CID 167587834
5-[(3,4-diisocyanophenyl)methyl]-1-methyl-3H-2,1-benzoxaborole
CID 167596794
4H-1,3-benzodioxin-7-ylmethanol
CID 55255556
[2,2-bis(methoxymethyl)-1,3-dihydroinden-5-yl]methanol
CID 11557723
[3-(5-fluoro-3H-2,1-benzoxaborol-1-yl)phenyl]methanol
CID 59855526
5-(hydroxymethyl)-2-methyl-1,3-dihydroindene-2-carboxamide
CID 158071360
(1'-methylspiro[1,3-dihydroindene-2,4'-piperidine]-5-yl)methanol
CID 167048183
3-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-1-phenylpropan-1-one
CID 57387598
1-(2,6-difluorophenyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone
CID 58404253

Frequently Asked Questions

What is the IUPAC name of (1-methyl-3H-2,1-benzoxaborol-6-yl)methanol?
The IUPAC name of (1-methyl-3H-2,1-benzoxaborol-6-yl)methanol (CID 146884186) is (1-methyl-3H-2,1-benzoxaborol-6-yl)methanol.
What is the SMILES notation for (1-methyl-3H-2,1-benzoxaborol-6-yl)methanol?
The canonical SMILES for (1-methyl-3H-2,1-benzoxaborol-6-yl)methanol is CB1OCc2ccc(CO)cc21.
What is the InChIKey of (1-methyl-3H-2,1-benzoxaborol-6-yl)methanol?
The InChIKey is SUVJYQNBIIWYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BO2/c1-10-9-4-7(5-11)2-3-8(9)6-12-10/h2-4,11H,5-6H2,1H3.
What are the key properties of (1-methyl-3H-2,1-benzoxaborol-6-yl)methanol?
(1-methyl-3H-2,1-benzoxaborol-6-yl)methanol has a molecular weight of 162.00 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-3H-2,1-benzoxaborol-6-yl)methanol is sourced from PubChem (CID 146884186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).