methyl-(2-methylphenoxy)borinic acid

C8H11BO2 — CID 90155517

IUPACmethyl-(2-methylphenoxy)borinic acid
SMILESCB(O)Oc1ccccc1C
InChIInChI=1S/C8H11BO2/c1-7-5-3-4-6-8(7)11-9(2)10/h3-6,10H,1-2H3
InChIKeyOLAWISBWSOUSOK-UHFFFAOYSA-N
MW149.99 g/mol
LogP1.48
Rot. Bonds2

About methyl-(2-methylphenoxy)borinic acid

methyl-(2-methylphenoxy)borinic acid (PubChem CID 90155517) has the molecular formula C8H11BO2 and a molecular weight of 149.99 g/mol. Its IUPAC name is methyl-(2-methylphenoxy)borinic acid.

Molecular Properties

Compound Namemethyl-(2-methylphenoxy)borinic acid
PubChem CID90155517
Molecular FormulaC8H11BO2
Molecular Weight149.99 g/mol
Exact Mass150.09
IUPAC Namemethyl-(2-methylphenoxy)borinic acid
SMILESCB(O)Oc1ccccc1C
InChIInChI=1S/C8H11BO2/c1-7-5-3-4-6-8(7)11-9(2)10/h3-6,10H,1-2H3
InChIKeyOLAWISBWSOUSOK-UHFFFAOYSA-N
XLogP1.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.99
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl-(2-methylphenoxy)borinic acid with MolForge

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

Launch Full Analysis

Related Compounds

ethane;1-methyl-2-(2-methylphenoxy)benzene
CID 90755051
methanol;1-methoxy-2-methylbenzene;hydrate;hydrochloride
CID 155598920
(5-fluoro-2-methylphenoxy)boronic acid
CID 142726725
1-[(E)-but-2-en-2-yl]oxy-2-methylbenzene
CID 23533291
CID 174515144
CID 174515144
2-(2-methylphenoxy)propan-2-ol
CID 21192257
methoxymethane;(2-methylphenyl)boronic acid
CID 153370115
11-(2-methylphenoxy)undecan-1-ol
CID 123672662
hydroxy-(2-methylphenoxy)-oxosilane
CID 21318177
tris(1-methoxy-2-methylbenzene);propane
CID 158759517
tris(2-methylphenyl) phosphite dichloride
CID 23333528
methyl-(2-methylphenoxy)phosphinic acid
CID 13143305

Frequently Asked Questions

What is the IUPAC name of methyl-(2-methylphenoxy)borinic acid?
The IUPAC name of methyl-(2-methylphenoxy)borinic acid (CID 90155517) is methyl-(2-methylphenoxy)borinic acid.
What is the SMILES notation for methyl-(2-methylphenoxy)borinic acid?
The canonical SMILES for methyl-(2-methylphenoxy)borinic acid is CB(O)Oc1ccccc1C.
What is the InChIKey of methyl-(2-methylphenoxy)borinic acid?
The InChIKey is OLAWISBWSOUSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BO2/c1-7-5-3-4-6-8(7)11-9(2)10/h3-6,10H,1-2H3.
What are the key properties of methyl-(2-methylphenoxy)borinic acid?
methyl-(2-methylphenoxy)borinic acid has a molecular weight of 149.99 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(2-methylphenoxy)borinic acid is sourced from PubChem (CID 90155517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).