[5-methoxy-2-(methoxymethoxy)phenyl]boronic acid

C9H13BO5 — CID 112694276

IUPAC[5-methoxy-2-(methoxymethoxy)phenyl]boronic acid
SMILESCOCOc1ccc(OC)cc1B(O)O
InChIInChI=1S/C9H13BO5/c1-13-6-15-9-4-3-7(14-2)5-8(9)10(11)12/h3-5,11-12H,6H2,1-2H3
InChIKeyXWNOGBTWAOKRJT-UHFFFAOYSA-N
MW212.01 g/mol
LogP-0.64
Rot. Bonds5

About [5-methoxy-2-(methoxymethoxy)phenyl]boronic acid

[5-methoxy-2-(methoxymethoxy)phenyl]boronic acid (PubChem CID 112694276) has the molecular formula C9H13BO5 and a molecular weight of 212.01 g/mol. Its IUPAC name is [5-methoxy-2-(methoxymethoxy)phenyl]boronic acid.

Molecular Properties

Compound Name[5-methoxy-2-(methoxymethoxy)phenyl]boronic acid
PubChem CID112694276
Molecular FormulaC9H13BO5
Molecular Weight212.01 g/mol
Exact Mass212.09
IUPAC Name[5-methoxy-2-(methoxymethoxy)phenyl]boronic acid
SMILESCOCOc1ccc(OC)cc1B(O)O
InChIInChI=1S/C9H13BO5/c1-13-6-15-9-4-3-7(14-2)5-8(9)10(11)12/h3-5,11-12H,6H2,1-2H3
InChIKeyXWNOGBTWAOKRJT-UHFFFAOYSA-N
XLogP-0.64
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.01
LogP ≤ 5-0.64
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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Related Compounds

(5-methoxy-2-pentoxyphenyl)boronic acid
CID 104706038
[5-methoxy-2-(3-methylbutoxy)phenyl]boronic acid
CID 104706043
2,5-Dimethoxyphenylboronic acid boronic acid
CID 67486333
[2-methoxy-4-(methoxymethoxy)phenyl]boronic acid
CID 10889201
[2-(2-cyclopropylethoxy)-5-methoxyphenyl]boronic acid
CID 104706134
[5-methoxy-2-(4,4,4-trifluorobutoxy)phenyl]boronic acid
CID 104706122
2-iodo-4-methoxy-1-(methoxymethoxy)benzene
CID 171366957
2-ethoxy-4-methoxy-1-(methoxymethoxy)benzene
CID 118066872
(2,5-diethoxyphenyl)boronic acid
CID 45094210
[5-methoxy-2-(methoxymethoxy)phenyl]-diphenylmethanol
CID 142656877
[2-[(2-cyano-3-pyridinyl)methoxy]-5-methoxyphenyl]boronic acid
CID 104706075
[2-[(4-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]boronic acid
CID 107882716

Frequently Asked Questions

What is the IUPAC name of [5-methoxy-2-(methoxymethoxy)phenyl]boronic acid?
The IUPAC name of [5-methoxy-2-(methoxymethoxy)phenyl]boronic acid (CID 112694276) is [5-methoxy-2-(methoxymethoxy)phenyl]boronic acid.
What is the SMILES notation for [5-methoxy-2-(methoxymethoxy)phenyl]boronic acid?
The canonical SMILES for [5-methoxy-2-(methoxymethoxy)phenyl]boronic acid is COCOc1ccc(OC)cc1B(O)O.
What is the InChIKey of [5-methoxy-2-(methoxymethoxy)phenyl]boronic acid?
The InChIKey is XWNOGBTWAOKRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BO5/c1-13-6-15-9-4-3-7(14-2)5-8(9)10(11)12/h3-5,11-12H,6H2,1-2H3.
What are the key properties of [5-methoxy-2-(methoxymethoxy)phenyl]boronic acid?
[5-methoxy-2-(methoxymethoxy)phenyl]boronic acid has a molecular weight of 212.01 g/mol, XLogP of -0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methoxy-2-(methoxymethoxy)phenyl]boronic acid is sourced from PubChem (CID 112694276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).