(2-methoxyphenyl)boronic acid;toluene

C14H17BO3 — CID 159956839

IUPAC(2-methoxyphenyl)boronic acid;toluene
SMILESCOc1ccccc1B(O)O.Cc1ccccc1
InChIInChI=1S/C7H9BO3.C7H8/c1-11-7-5-3-2-4-6(7)8(9)10;1-7-5-3-2-4-6-7/h2-5,9-10H,1H3;2-6H,1H3
InChIKeyOCVAMFCJACKNCP-UHFFFAOYSA-N
MW244.10 g/mol
LogP1.37
Rot. Bonds2

About (2-methoxyphenyl)boronic acid;toluene

(2-methoxyphenyl)boronic acid;toluene (PubChem CID 159956839) has the molecular formula C14H17BO3 and a molecular weight of 244.10 g/mol. Its IUPAC name is (2-methoxyphenyl)boronic acid;toluene.

Molecular Properties

Compound Name(2-methoxyphenyl)boronic acid;toluene
PubChem CID159956839
Molecular FormulaC14H17BO3
Molecular Weight244.10 g/mol
Exact Mass244.13
IUPAC Name(2-methoxyphenyl)boronic acid;toluene
SMILESCOc1ccccc1B(O)O.Cc1ccccc1
InChIInChI=1S/C7H9BO3.C7H8/c1-11-7-5-3-2-4-6(7)8(9)10;1-7-5-3-2-4-6-7/h2-5,9-10H,1H3;2-6H,1H3
InChIKeyOCVAMFCJACKNCP-UHFFFAOYSA-N
XLogP1.37
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.10
LogP ≤ 51.37
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-methoxyphenyl)boronic acid;(2,3,4,5,6-pentafluorophenyl)boronic acid
CID 172849713
aminooxy-(2-methoxyphenyl)borinic acid
CID 141379819
bromooxy-(2-methoxyphenyl)borinic acid
CID 174742163
chlorooxy-(2-methoxyphenyl)borinic acid
CID 141079406
(2-methoxy-5-methylphenyl)boronic acid
CID 2773485
methoxymethane;(2-methylphenyl)boronic acid
CID 153370115
[2-(3,4-dimethoxyphenyl)phenyl]boronic acid
CID 135023624
(2-ethoxyphenyl)boronic acid
CID 2734902
silane;toluene;trihydrochloride
CID 173426861
ruthenium;toluene;trihydrochloride
CID 174723656
methylcyclotriacontapentadecaene
CID 101240530

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)boronic acid;toluene?
The IUPAC name of (2-methoxyphenyl)boronic acid;toluene (CID 159956839) is (2-methoxyphenyl)boronic acid;toluene.
What is the SMILES notation for (2-methoxyphenyl)boronic acid;toluene?
The canonical SMILES for (2-methoxyphenyl)boronic acid;toluene is COc1ccccc1B(O)O.Cc1ccccc1.
What is the InChIKey of (2-methoxyphenyl)boronic acid;toluene?
The InChIKey is OCVAMFCJACKNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BO3.C7H8/c1-11-7-5-3-2-4-6(7)8(9)10;1-7-5-3-2-4-6-7/h2-5,9-10H,1H3;2-6H,1H3.
What are the key properties of (2-methoxyphenyl)boronic acid;toluene?
(2-methoxyphenyl)boronic acid;toluene has a molecular weight of 244.10 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)boronic acid;toluene is sourced from PubChem (CID 159956839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).