2,6-Dimethoxy-phenol boronic acid

C8H12BO5 — CID 68597712

IUPAC—
SMILESCOc1cccc(OC)c1O.O[B]O
InChIInChI=1S/C8H10O3.BH2O2/c1-10-6-4-3-5-7(11-2)8(6)9;2-1-3/h3-5,9H,1-2H3;2-3H
InChIKeyCIVRFBFKNUHJCG-UHFFFAOYSA-N
MW198.99 g/mol
LogP-0.09
Rot. Bonds2

About 2,6-Dimethoxy-phenol boronic acid

2,6-Dimethoxy-phenol boronic acid (PubChem CID 68597712) has the molecular formula C8H12BO5 and a molecular weight of 198.99 g/mol.

Molecular Properties

Compound Name2,6-Dimethoxy-phenol boronic acid
PubChem CID68597712
Molecular FormulaC8H12BO5
Molecular Weight198.99 g/mol
Exact Mass199.08
IUPAC Name—
SMILESCOc1cccc(OC)c1O.O[B]O
InChIInChI=1S/C8H10O3.BH2O2/c1-10-6-4-3-5-7(11-2)8(6)9;2-1-3/h3-5,9H,1-2H3;2-3H
InChIKeyCIVRFBFKNUHJCG-UHFFFAOYSA-N
XLogP-0.09
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.99
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-hydroxy-3-methoxyphenyl) carbamate
CID 68617707
2-hydroxy-3-methoxybenzaldehyde
CID 8991
2-methoxy-6-(phosphanylmethyl)phenol
CID 155024507
copper;bis(2-hydroxy-3-methoxybenzaldehyde)
CID 50897387
2-hydroxy-3-methoxybenzaldehyde;methane
CID 165075137
2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 135473163
ethene;2-hydroxy-3-methoxybenzaldehyde
CID 175162627
2-methoxy-6-(3-methyloxiran-2-yl)phenol
CID 130036138
ethane;2-methoxy-6-propylphenol
CID 142869062
(2-hydroxy-3-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 67681144
2-[(E)-hydroxyiminomethyl]-6-methoxyphenol
CID 135460299
azane;2-methoxyphenol
CID 172717837

Frequently Asked Questions

What is the IUPAC name of 2,6-Dimethoxy-phenol boronic acid?
The IUPAC name of 2,6-Dimethoxy-phenol boronic acid (CID 68597712) is not available.
What is the SMILES notation for 2,6-Dimethoxy-phenol boronic acid?
The canonical SMILES for 2,6-Dimethoxy-phenol boronic acid is COc1cccc(OC)c1O.O[B]O.
What is the InChIKey of 2,6-Dimethoxy-phenol boronic acid?
The InChIKey is CIVRFBFKNUHJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3.BH2O2/c1-10-6-4-3-5-7(11-2)8(6)9;2-1-3/h3-5,9H,1-2H3;2-3H.
What are the key properties of 2,6-Dimethoxy-phenol boronic acid?
2,6-Dimethoxy-phenol boronic acid has a molecular weight of 198.99 g/mol, XLogP of -0.09, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-Dimethoxy-phenol boronic acid is sourced from PubChem (CID 68597712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).