[2-[2-(methoxymethoxy)propan-2-yl]phenyl]boronic acid

C11H17BO4 — CID 141197495

IUPAC[2-[2-(methoxymethoxy)propan-2-yl]phenyl]boronic acid
SMILESCOCOC(C)(C)c1ccccc1B(O)O
InChIInChI=1S/C11H17BO4/c1-11(2,16-8-15-3)9-6-4-5-7-10(9)12(13)14/h4-7,13-14H,8H2,1-3H3
InChIKeyLOQGUBPMQBHENI-UHFFFAOYSA-N
MW224.06 g/mol
LogP0.22
Rot. Bonds5

About [2-[2-(methoxymethoxy)propan-2-yl]phenyl]boronic acid

[2-[2-(methoxymethoxy)propan-2-yl]phenyl]boronic acid (PubChem CID 141197495) has the molecular formula C11H17BO4 and a molecular weight of 224.06 g/mol. Its IUPAC name is [2-[2-(methoxymethoxy)propan-2-yl]phenyl]boronic acid.

Molecular Properties

Compound Name[2-[2-(methoxymethoxy)propan-2-yl]phenyl]boronic acid
PubChem CID141197495
Molecular FormulaC11H17BO4
Molecular Weight224.06 g/mol
Exact Mass224.12
IUPAC Name[2-[2-(methoxymethoxy)propan-2-yl]phenyl]boronic acid
SMILESCOCOC(C)(C)c1ccccc1B(O)O
InChIInChI=1S/C11H17BO4/c1-11(2,16-8-15-3)9-6-4-5-7-10(9)12(13)14/h4-7,13-14H,8H2,1-3H3
InChIKeyLOQGUBPMQBHENI-UHFFFAOYSA-N
XLogP0.22
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.06
LogP ≤ 50.22
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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Frequently Asked Questions

What is the IUPAC name of [2-[2-(methoxymethoxy)propan-2-yl]phenyl]boronic acid?
The IUPAC name of [2-[2-(methoxymethoxy)propan-2-yl]phenyl]boronic acid (CID 141197495) is [2-[2-(methoxymethoxy)propan-2-yl]phenyl]boronic acid.
What is the SMILES notation for [2-[2-(methoxymethoxy)propan-2-yl]phenyl]boronic acid?
The canonical SMILES for [2-[2-(methoxymethoxy)propan-2-yl]phenyl]boronic acid is COCOC(C)(C)c1ccccc1B(O)O.
What is the InChIKey of [2-[2-(methoxymethoxy)propan-2-yl]phenyl]boronic acid?
The InChIKey is LOQGUBPMQBHENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BO4/c1-11(2,16-8-15-3)9-6-4-5-7-10(9)12(13)14/h4-7,13-14H,8H2,1-3H3.
What are the key properties of [2-[2-(methoxymethoxy)propan-2-yl]phenyl]boronic acid?
[2-[2-(methoxymethoxy)propan-2-yl]phenyl]boronic acid has a molecular weight of 224.06 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(methoxymethoxy)propan-2-yl]phenyl]boronic acid is sourced from PubChem (CID 141197495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).