[3-(oxolan-3-yloxymethyl)phenyl]boronic acid

C11H15BO4 — CID 63556694

IUPAC[3-(oxolan-3-yloxymethyl)phenyl]boronic acid
SMILESOB(O)c1cccc(COC2CCOC2)c1
InChIInChI=1S/C11H15BO4/c13-12(14)10-3-1-2-9(6-10)7-16-11-4-5-15-8-11/h1-3,6,11,13-14H,4-5,7-8H2
InChIKeyWLAWVOZSYDZOQC-UHFFFAOYSA-N
MW222.05 g/mol
LogP-0.33
Rot. Bonds4

About [3-(oxolan-3-yloxymethyl)phenyl]boronic acid

[3-(oxolan-3-yloxymethyl)phenyl]boronic acid (PubChem CID 63556694) has the molecular formula C11H15BO4 and a molecular weight of 222.05 g/mol. Its IUPAC name is [3-(oxolan-3-yloxymethyl)phenyl]boronic acid.

Molecular Properties

Compound Name[3-(oxolan-3-yloxymethyl)phenyl]boronic acid
PubChem CID63556694
Molecular FormulaC11H15BO4
Molecular Weight222.05 g/mol
Exact Mass222.11
IUPAC Name[3-(oxolan-3-yloxymethyl)phenyl]boronic acid
SMILESOB(O)c1cccc(COC2CCOC2)c1
InChIInChI=1S/C11H15BO4/c13-12(14)10-3-1-2-9(6-10)7-16-11-4-5-15-8-11/h1-3,6,11,13-14H,4-5,7-8H2
InChIKeyWLAWVOZSYDZOQC-UHFFFAOYSA-N
XLogP-0.33
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.05
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-(oxan-4-yloxymethyl)phenyl]boronic acid
CID 53211417
[3-(cyclohexyloxymethyl)phenyl]boronic acid
CID 53211400
[3-fluoro-4-(oxolan-3-yloxymethyl)phenyl]boronic acid
CID 63556693
3-[[(3S)-oxolan-3-yl]oxymethyl]benzaldehyde
CID 150049092
4-[3-(oxolan-3-yloxymethyl)phenyl]-1,3-thiazol-2-amine
CID 155037577
4-[3-(oxolan-3-yloxymethyl)phenyl]-1H-pyrazole
CID 166240164
2-[3-[[(3S)-oxolan-3-yl]oxymethyl]phenoxy]oxane
CID 155385050
4-phenylmethoxyoxane
CID 66554133
3-[2-[3-(ethoxymethyl)phenyl]ethoxy]oxolane
CID 146544463
1-methyl-3-[3-(oxolan-3-yloxymethyl)phenyl]pyrazole-5-carboxylic acid
CID 167836268
4-methoxy-5-[3-(oxolan-3-yloxymethyl)phenyl]thiophene-2-carboxylic acid
CID 138032297
3-[3-[[(3S)-oxolan-3-yl]oxymethyl]phenyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 164631097

Frequently Asked Questions

What is the IUPAC name of [3-(oxolan-3-yloxymethyl)phenyl]boronic acid?
The IUPAC name of [3-(oxolan-3-yloxymethyl)phenyl]boronic acid (CID 63556694) is [3-(oxolan-3-yloxymethyl)phenyl]boronic acid.
What is the SMILES notation for [3-(oxolan-3-yloxymethyl)phenyl]boronic acid?
The canonical SMILES for [3-(oxolan-3-yloxymethyl)phenyl]boronic acid is OB(O)c1cccc(COC2CCOC2)c1.
What is the InChIKey of [3-(oxolan-3-yloxymethyl)phenyl]boronic acid?
The InChIKey is WLAWVOZSYDZOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BO4/c13-12(14)10-3-1-2-9(6-10)7-16-11-4-5-15-8-11/h1-3,6,11,13-14H,4-5,7-8H2.
What are the key properties of [3-(oxolan-3-yloxymethyl)phenyl]boronic acid?
[3-(oxolan-3-yloxymethyl)phenyl]boronic acid has a molecular weight of 222.05 g/mol, XLogP of -0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(oxolan-3-yloxymethyl)phenyl]boronic acid is sourced from PubChem (CID 63556694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).