[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]boronic acid

C10H13BO4 — CID 5146717

IUPAC[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]boronic acid
SMILESCC1(c2ccccc2B(O)O)OCCO1
InChIInChI=1S/C10H13BO4/c1-10(14-6-7-15-10)8-4-2-3-5-9(8)11(12)13/h2-5,12-13H,6-7H2,1H3
InChIKeyLQXLVSDIQAVYOM-UHFFFAOYSA-N
MW208.02 g/mol
LogP-0.41
Rot. Bonds2

About [2-(2-methyl-1,3-dioxolan-2-yl)phenyl]boronic acid

[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]boronic acid (PubChem CID 5146717) has the molecular formula C10H13BO4 and a molecular weight of 208.02 g/mol. Its IUPAC name is [2-(2-methyl-1,3-dioxolan-2-yl)phenyl]boronic acid.

Molecular Properties

Compound Name[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]boronic acid
PubChem CID5146717
Molecular FormulaC10H13BO4
Molecular Weight208.02 g/mol
Exact Mass208.09
IUPAC Name[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]boronic acid
SMILESCC1(c2ccccc2B(O)O)OCCO1
InChIInChI=1S/C10H13BO4/c1-10(14-6-7-15-10)8-4-2-3-5-9(8)11(12)13/h2-5,12-13H,6-7H2,1H3
InChIKeyLQXLVSDIQAVYOM-UHFFFAOYSA-N
XLogP-0.41
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.02
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-1,3-dioxolan-2-yl)phenyl]boronic acid?
The IUPAC name of [2-(2-methyl-1,3-dioxolan-2-yl)phenyl]boronic acid (CID 5146717) is [2-(2-methyl-1,3-dioxolan-2-yl)phenyl]boronic acid.
What is the SMILES notation for [2-(2-methyl-1,3-dioxolan-2-yl)phenyl]boronic acid?
The canonical SMILES for [2-(2-methyl-1,3-dioxolan-2-yl)phenyl]boronic acid is CC1(c2ccccc2B(O)O)OCCO1.
What is the InChIKey of [2-(2-methyl-1,3-dioxolan-2-yl)phenyl]boronic acid?
The InChIKey is LQXLVSDIQAVYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BO4/c1-10(14-6-7-15-10)8-4-2-3-5-9(8)11(12)13/h2-5,12-13H,6-7H2,1H3.
What are the key properties of [2-(2-methyl-1,3-dioxolan-2-yl)phenyl]boronic acid?
[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]boronic acid has a molecular weight of 208.02 g/mol, XLogP of -0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-1,3-dioxolan-2-yl)phenyl]boronic acid is sourced from PubChem (CID 5146717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).