[4-(methoxymethoxy)phenoxy]boronic acid

C8H11BO5 — CID 54191014

IUPAC[4-(methoxymethoxy)phenoxy]boronic acid
SMILESCOCOc1ccc(OB(O)O)cc1
InChIInChI=1S/C8H11BO5/c1-12-6-13-7-2-4-8(5-3-7)14-9(10)11/h2-5,10-11H,6H2,1H3
InChIKeyPINAYSIJMMASIK-UHFFFAOYSA-N
MW197.98 g/mol
LogP0.02
Rot. Bonds5

About [4-(methoxymethoxy)phenoxy]boronic acid

[4-(methoxymethoxy)phenoxy]boronic acid (PubChem CID 54191014) has the molecular formula C8H11BO5 and a molecular weight of 197.98 g/mol. Its IUPAC name is [4-(methoxymethoxy)phenoxy]boronic acid.

Molecular Properties

Compound Name[4-(methoxymethoxy)phenoxy]boronic acid
PubChem CID54191014
Molecular FormulaC8H11BO5
Molecular Weight197.98 g/mol
Exact Mass198.07
IUPAC Name[4-(methoxymethoxy)phenoxy]boronic acid
SMILESCOCOc1ccc(OB(O)O)cc1
InChIInChI=1S/C8H11BO5/c1-12-6-13-7-2-4-8(5-3-7)14-9(10)11/h2-5,10-11H,6H2,1H3
InChIKeyPINAYSIJMMASIK-UHFFFAOYSA-N
XLogP0.02
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.98
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethoxy)phenoxy]boronic acid?
The IUPAC name of [4-(methoxymethoxy)phenoxy]boronic acid (CID 54191014) is [4-(methoxymethoxy)phenoxy]boronic acid.
What is the SMILES notation for [4-(methoxymethoxy)phenoxy]boronic acid?
The canonical SMILES for [4-(methoxymethoxy)phenoxy]boronic acid is COCOc1ccc(OB(O)O)cc1.
What is the InChIKey of [4-(methoxymethoxy)phenoxy]boronic acid?
The InChIKey is PINAYSIJMMASIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BO5/c1-12-6-13-7-2-4-8(5-3-7)14-9(10)11/h2-5,10-11H,6H2,1H3.
What are the key properties of [4-(methoxymethoxy)phenoxy]boronic acid?
[4-(methoxymethoxy)phenoxy]boronic acid has a molecular weight of 197.98 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethoxy)phenoxy]boronic acid is sourced from PubChem (CID 54191014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).