2-hydroxy-8-methyl-3,4-dihydro-1,2-benzoxaborinine

C9H11BO2 — CID 158577824

IUPAC2-hydroxy-8-methyl-3,4-dihydro-1,2-benzoxaborinine
SMILESCc1cccc2c1OB(O)CC2
InChIInChI=1S/C9H11BO2/c1-7-3-2-4-8-5-6-10(11)12-9(7)8/h2-4,11H,5-6H2,1H3
InChIKeySDMUOMGOLVWZNY-UHFFFAOYSA-N
MW162.00 g/mol
LogP1.41
Rot. Bonds

About 2-hydroxy-8-methyl-3,4-dihydro-1,2-benzoxaborinine

2-hydroxy-8-methyl-3,4-dihydro-1,2-benzoxaborinine (PubChem CID 158577824) has the molecular formula C9H11BO2 and a molecular weight of 162.00 g/mol. Its IUPAC name is 2-hydroxy-8-methyl-3,4-dihydro-1,2-benzoxaborinine.

Molecular Properties

Compound Name2-hydroxy-8-methyl-3,4-dihydro-1,2-benzoxaborinine
PubChem CID158577824
Molecular FormulaC9H11BO2
Molecular Weight162.00 g/mol
Exact Mass162.09
IUPAC Name2-hydroxy-8-methyl-3,4-dihydro-1,2-benzoxaborinine
SMILESCc1cccc2c1OB(O)CC2
InChIInChI=1S/C9H11BO2/c1-7-3-2-4-8-5-6-10(11)12-9(7)8/h2-4,11H,5-6H2,1H3
InChIKeySDMUOMGOLVWZNY-UHFFFAOYSA-N
XLogP1.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.00
LogP ≤ 51.41
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 2-hydroxy-8-methyl-3,4-dihydro-1,2-benzoxaborinine?
The IUPAC name of 2-hydroxy-8-methyl-3,4-dihydro-1,2-benzoxaborinine (CID 158577824) is 2-hydroxy-8-methyl-3,4-dihydro-1,2-benzoxaborinine.
What is the SMILES notation for 2-hydroxy-8-methyl-3,4-dihydro-1,2-benzoxaborinine?
The canonical SMILES for 2-hydroxy-8-methyl-3,4-dihydro-1,2-benzoxaborinine is Cc1cccc2c1OB(O)CC2.
What is the InChIKey of 2-hydroxy-8-methyl-3,4-dihydro-1,2-benzoxaborinine?
The InChIKey is SDMUOMGOLVWZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BO2/c1-7-3-2-4-8-5-6-10(11)12-9(7)8/h2-4,11H,5-6H2,1H3.
What are the key properties of 2-hydroxy-8-methyl-3,4-dihydro-1,2-benzoxaborinine?
2-hydroxy-8-methyl-3,4-dihydro-1,2-benzoxaborinine has a molecular weight of 162.00 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-8-methyl-3,4-dihydro-1,2-benzoxaborinine is sourced from PubChem (CID 158577824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).