[2-methoxy-6-(methoxymethoxymethyl)phenyl]boronic acid

C10H15BO5 — CID 10727916

IUPAC[2-methoxy-6-(methoxymethoxymethyl)phenyl]boronic acid
SMILESCOCOCc1cccc(OC)c1B(O)O
InChIInChI=1S/C10H15BO5/c1-14-7-16-6-8-4-3-5-9(15-2)10(8)11(12)13/h3-5,12-13H,6-7H2,1-2H3
InChIKeyXCFHBIVFWRWQEK-UHFFFAOYSA-N
MW226.04 g/mol
LogP-0.50
Rot. Bonds6

About [2-methoxy-6-(methoxymethoxymethyl)phenyl]boronic acid

[2-methoxy-6-(methoxymethoxymethyl)phenyl]boronic acid (PubChem CID 10727916) has the molecular formula C10H15BO5 and a molecular weight of 226.04 g/mol. Its IUPAC name is [2-methoxy-6-(methoxymethoxymethyl)phenyl]boronic acid.

Molecular Properties

Compound Name[2-methoxy-6-(methoxymethoxymethyl)phenyl]boronic acid
PubChem CID10727916
Molecular FormulaC10H15BO5
Molecular Weight226.04 g/mol
Exact Mass226.10
IUPAC Name[2-methoxy-6-(methoxymethoxymethyl)phenyl]boronic acid
SMILESCOCOCc1cccc(OC)c1B(O)O
InChIInChI=1S/C10H15BO5/c1-14-7-16-6-8-4-3-5-9(15-2)10(8)11(12)13/h3-5,12-13H,6-7H2,1-2H3
InChIKeyXCFHBIVFWRWQEK-UHFFFAOYSA-N
XLogP-0.50
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.04
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-fluoro-6-methoxyphenyl)boronic acid
CID 3294524
1-(methoxymethoxymethyl)-2,3-bis(phenylmethoxy)benzene
CID 86164113
1-fluoro-2-(methoxymethoxymethyl)benzene
CID 10920940
[3-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]boronic acid
CID 104792588
2-[(2-methoxyphenyl)methoxy]-1,3-dimethylbenzene
CID 70895147
2-fluoro-1-methoxy-3-(methoxymethyl)benzene
CID 70661160
N-[(2-methoxyphenyl)methoxy]methanamine
CID 105433405
(2-methoxyphenyl)methylperoxy-phenylborinic acid
CID 87565141
[6-methoxy-2-(methoxymethoxymethyl)-3-pyridinyl]boronic acid
CID 140786799
(2-methoxyphenyl)boronic acid
CID 2733958
1,3-dimethoxy-2-(methoxymethyl)benzene
CID 86183606
[2-methoxy-4-(methoxymethoxy)phenyl]boronic acid
CID 10889201

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-6-(methoxymethoxymethyl)phenyl]boronic acid?
The IUPAC name of [2-methoxy-6-(methoxymethoxymethyl)phenyl]boronic acid (CID 10727916) is [2-methoxy-6-(methoxymethoxymethyl)phenyl]boronic acid.
What is the SMILES notation for [2-methoxy-6-(methoxymethoxymethyl)phenyl]boronic acid?
The canonical SMILES for [2-methoxy-6-(methoxymethoxymethyl)phenyl]boronic acid is COCOCc1cccc(OC)c1B(O)O.
What is the InChIKey of [2-methoxy-6-(methoxymethoxymethyl)phenyl]boronic acid?
The InChIKey is XCFHBIVFWRWQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BO5/c1-14-7-16-6-8-4-3-5-9(15-2)10(8)11(12)13/h3-5,12-13H,6-7H2,1-2H3.
What are the key properties of [2-methoxy-6-(methoxymethoxymethyl)phenyl]boronic acid?
[2-methoxy-6-(methoxymethoxymethyl)phenyl]boronic acid has a molecular weight of 226.04 g/mol, XLogP of -0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-6-(methoxymethoxymethyl)phenyl]boronic acid is sourced from PubChem (CID 10727916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).