[2-methoxy-4-(methoxymethoxy)phenyl]boronic acid

C9H13BO5 — CID 10889201

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

About [2-methoxy-4-(methoxymethoxy)phenyl]boronic acid

[2-methoxy-4-(methoxymethoxy)phenyl]boronic acid (PubChem CID 10889201) has the molecular formula C9H13BO5 and a molecular weight of 212.01 g/mol. Its IUPAC name is [2-methoxy-4-(methoxymethoxy)phenyl]boronic acid.

Molecular Properties

Compound Name[2-methoxy-4-(methoxymethoxy)phenyl]boronic acid
PubChem CID10889201
Molecular FormulaC9H13BO5
Molecular Weight212.01 g/mol
Exact Mass212.09
IUPAC Name[2-methoxy-4-(methoxymethoxy)phenyl]boronic acid
SMILESCOCOc1ccc(B(O)O)c(OC)c1
InChIInChI=1S/C9H13BO5/c1-13-6-15-7-3-4-8(10(11)12)9(5-7)14-2/h3-5,11-12H,6H2,1-2H3
InChIKeyYHIRWBPAEVCPES-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

[4-(methoxymethoxy)-2-propoxyphenyl]boronic acid
CID 141056028
[5-methoxy-2-(methoxymethoxy)phenyl]boronic acid
CID 112694276
[3-(methoxymethoxy)phenyl]boronic acid
CID 22606941
1,4-bis(methoxymethoxy)benzene
CID 542643
[2-methoxy-4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]boronic acid
CID 155291708
[4-cyano-2-(methoxymethoxy)phenyl]boronic acid
CID 170993970
[4-(methoxymethoxy)phenoxy]boronic acid
CID 54191014
2-[2,4-bis(methoxymethoxy)phenyl]ethanol
CID 175027398
2-methoxy-1-(methoxymethoxy)-4-(3-methylbut-2-enoxy)benzene
CID 11207483
(2-methoxy-5-phenylmethoxyphenyl)boronic acid
CID 75537210
2-bromo-4-(methoxymethoxy)benzaldehyde
CID 24829119
2-bromo-1-fluoro-4-(methoxymethoxy)benzene
CID 83236358

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-(methoxymethoxy)phenyl]boronic acid?
The IUPAC name of [2-methoxy-4-(methoxymethoxy)phenyl]boronic acid (CID 10889201) is [2-methoxy-4-(methoxymethoxy)phenyl]boronic acid.
What is the SMILES notation for [2-methoxy-4-(methoxymethoxy)phenyl]boronic acid?
The canonical SMILES for [2-methoxy-4-(methoxymethoxy)phenyl]boronic acid is COCOc1ccc(B(O)O)c(OC)c1.
What is the InChIKey of [2-methoxy-4-(methoxymethoxy)phenyl]boronic acid?
The InChIKey is YHIRWBPAEVCPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BO5/c1-13-6-15-7-3-4-8(10(11)12)9(5-7)14-2/h3-5,11-12H,6H2,1-2H3.
What are the key properties of [2-methoxy-4-(methoxymethoxy)phenyl]boronic acid?
[2-methoxy-4-(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 [2-methoxy-4-(methoxymethoxy)phenyl]boronic acid is sourced from PubChem (CID 10889201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).