[3-(methoxymethoxy)phenyl]boronic acid

C8H11BO4 — CID 22606941

IUPAC[3-(methoxymethoxy)phenyl]boronic acid
SMILESCOCOc1cccc(B(O)O)c1
InChIInChI=1S/C8H11BO4/c1-12-6-13-8-4-2-3-7(5-8)9(10)11/h2-5,10-11H,6H2,1H3
InChIKeyVAPXDSYOTCGWBV-UHFFFAOYSA-N
MW181.98 g/mol
LogP-0.65
Rot. Bonds4

About [3-(methoxymethoxy)phenyl]boronic acid

[3-(methoxymethoxy)phenyl]boronic acid (PubChem CID 22606941) has the molecular formula C8H11BO4 and a molecular weight of 181.98 g/mol. Its IUPAC name is [3-(methoxymethoxy)phenyl]boronic acid.

Molecular Properties

Compound Name[3-(methoxymethoxy)phenyl]boronic acid
PubChem CID22606941
Molecular FormulaC8H11BO4
Molecular Weight181.98 g/mol
Exact Mass182.08
IUPAC Name[3-(methoxymethoxy)phenyl]boronic acid
SMILESCOCOc1cccc(B(O)O)c1
InChIInChI=1S/C8H11BO4/c1-12-6-13-8-4-2-3-7(5-8)9(10)11/h2-5,10-11H,6H2,1H3
InChIKeyVAPXDSYOTCGWBV-UHFFFAOYSA-N
XLogP-0.65
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.98
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

(3-methoxyphenyl)boronic acid
CID 2734370
[3-[[3-(methoxymethyl)phenoxy]methyl]phenyl]boronic acid
CID 63984221
(3-hexoxyphenyl)boronic acid
CID 43145336
[3-[(3,5-dimethylphenyl)methoxy]phenyl]boronic acid
CID 54911074
[3-[[3-(hydroxymethyl)-5-methoxyphenyl]methoxy]phenyl]boronic acid
CID 123997809
[3-[2-(2-methylpropoxy)ethoxy]phenyl]boronic acid
CID 54970593
[3-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]boronic acid
CID 104792588
1-(methoxymethoxy)-3-(methoxymethyl)benzene
CID 138736318
[2-methoxy-4-(methoxymethoxy)phenyl]boronic acid
CID 10889201
[3-[(3,5-difluorophenyl)methoxy]phenyl]boronic acid
CID 105404414
[3-(1-ethoxyethoxy)phenyl]boronic acid
CID 23148193
[3-[2-[cyclopropyl(methyl)amino]ethoxy]phenyl]boronic acid
CID 54971054

Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethoxy)phenyl]boronic acid?
The IUPAC name of [3-(methoxymethoxy)phenyl]boronic acid (CID 22606941) is [3-(methoxymethoxy)phenyl]boronic acid.
What is the SMILES notation for [3-(methoxymethoxy)phenyl]boronic acid?
The canonical SMILES for [3-(methoxymethoxy)phenyl]boronic acid is COCOc1cccc(B(O)O)c1.
What is the InChIKey of [3-(methoxymethoxy)phenyl]boronic acid?
The InChIKey is VAPXDSYOTCGWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BO4/c1-12-6-13-8-4-2-3-7(5-8)9(10)11/h2-5,10-11H,6H2,1H3.
What are the key properties of [3-(methoxymethoxy)phenyl]boronic acid?
[3-(methoxymethoxy)phenyl]boronic acid has a molecular weight of 181.98 g/mol, XLogP of -0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethoxy)phenyl]boronic acid is sourced from PubChem (CID 22606941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).