methoxymethane;(2-methylphenyl)boronic acid

C9H15BO3 — CID 153370115

IUPACmethoxymethane;(2-methylphenyl)boronic acid
SMILESCOC.Cc1ccccc1B(O)O
InChIInChI=1S/C7H9BO2.C2H6O/c1-6-4-2-3-5-7(6)8(9)10;1-3-2/h2-5,9-10H,1H3;1-2H3
InChIKeyDOPJFJWRLDXYTL-UHFFFAOYSA-N
MW182.03 g/mol
LogP-0.06
Rot. Bonds1

About methoxymethane;(2-methylphenyl)boronic acid

methoxymethane;(2-methylphenyl)boronic acid (PubChem CID 153370115) has the molecular formula C9H15BO3 and a molecular weight of 182.03 g/mol. Its IUPAC name is methoxymethane;(2-methylphenyl)boronic acid.

Molecular Properties

Compound Namemethoxymethane;(2-methylphenyl)boronic acid
PubChem CID153370115
Molecular FormulaC9H15BO3
Molecular Weight182.03 g/mol
Exact Mass182.11
IUPAC Namemethoxymethane;(2-methylphenyl)boronic acid
SMILESCOC.Cc1ccccc1B(O)O
InChIInChI=1S/C7H9BO2.C2H6O/c1-6-4-2-3-5-7(6)8(9)10;1-3-2/h2-5,9-10H,1H3;1-2H3
InChIKeyDOPJFJWRLDXYTL-UHFFFAOYSA-N
XLogP-0.06
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.03
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-methoxyphenyl)boronic acid
CID 2733958
(2,3-dimethylphenyl)boronic acid;ethane
CID 91164707
[2-(methoxymethoxy)-3-methylphenyl]boronic acid
CID 44517875
chloro-bis(2-methylphenyl)borane
CID 12848093
(2-methoxyphenyl)boronic acid;toluene
CID 159956839
1,2-xylene
CID 173422016
methyl-(2-methylphenoxy)borinic acid
CID 90155517
hydroperoxymethane;2-methylphenol
CID 87131667
(2-chlorophenyl)-methoxyborinic acid
CID 90464358
[2-(2,5-dimethylpyrrol-1-yl)phenyl]boronic acid
CID 75485888
(3-chlorophenyl)-(2-methylphenyl)borinic acid;1-methoxy-N-(methoxymethyl)methanamine
CID 66738694
benzene;1,2-xylene
CID 161464493

Frequently Asked Questions

What is the IUPAC name of methoxymethane;(2-methylphenyl)boronic acid?
The IUPAC name of methoxymethane;(2-methylphenyl)boronic acid (CID 153370115) is methoxymethane;(2-methylphenyl)boronic acid.
What is the SMILES notation for methoxymethane;(2-methylphenyl)boronic acid?
The canonical SMILES for methoxymethane;(2-methylphenyl)boronic acid is COC.Cc1ccccc1B(O)O.
What is the InChIKey of methoxymethane;(2-methylphenyl)boronic acid?
The InChIKey is DOPJFJWRLDXYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BO2.C2H6O/c1-6-4-2-3-5-7(6)8(9)10;1-3-2/h2-5,9-10H,1H3;1-2H3.
What are the key properties of methoxymethane;(2-methylphenyl)boronic acid?
methoxymethane;(2-methylphenyl)boronic acid has a molecular weight of 182.03 g/mol, XLogP of -0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethane;(2-methylphenyl)boronic acid is sourced from PubChem (CID 153370115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).