[2-(phenoxymethyl)thiophen-3-yl]boronic acid

C11H11BO3S — CID 175098707

IUPAC[2-(phenoxymethyl)thiophen-3-yl]boronic acid
SMILESOB(O)c1ccsc1COc1ccccc1
InChIInChI=1S/C11H11BO3S/c13-12(14)10-6-7-16-11(10)8-15-9-4-2-1-3-5-9/h1-7,13-14H,8H2
InChIKeyXBEQSSDXVILAAF-UHFFFAOYSA-N
MW234.09 g/mol
LogP1.01
Rot. Bonds4

About [2-(phenoxymethyl)thiophen-3-yl]boronic acid

[2-(phenoxymethyl)thiophen-3-yl]boronic acid (PubChem CID 175098707) has the molecular formula C11H11BO3S and a molecular weight of 234.09 g/mol. Its IUPAC name is [2-(phenoxymethyl)thiophen-3-yl]boronic acid.

Molecular Properties

Compound Name[2-(phenoxymethyl)thiophen-3-yl]boronic acid
PubChem CID175098707
Molecular FormulaC11H11BO3S
Molecular Weight234.09 g/mol
Exact Mass234.05
IUPAC Name[2-(phenoxymethyl)thiophen-3-yl]boronic acid
SMILESOB(O)c1ccsc1COc1ccccc1
InChIInChI=1S/C11H11BO3S/c13-12(14)10-6-7-16-11(10)8-15-9-4-2-1-3-5-9/h1-7,13-14H,8H2
InChIKeyXBEQSSDXVILAAF-UHFFFAOYSA-N
XLogP1.01
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.09
LogP ≤ 51.01
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

5-(phenoxymethyl)-1,3-thiazole-4-carboxylic acid
CID 117214552
(4-phenylmethoxyphenyl)boronic acid
CID 2734314
3-bromo-2-[(3-ethoxyphenoxy)methyl]thiophene
CID 55060850
1,3,5-trimethyl-2,4,6-tris(phenoxymethyl)benzene
CID 139065941
2,5-bis(phenoxymethyl)-1,3-thiazole
CID 90704535
5-methyl-2-(phenoxymethyl)-1,3-thiazole-4-carboxylic acid
CID 80503554
1-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone
CID 2744803
(1R)-1-[3-[(3-bromothiophen-2-yl)methoxy]phenyl]ethanol
CID 63365571
6-(phenoxymethyl)-1-benzothiophene
CID 173192400
2-methyl-N-[[4-(phenoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62454477
3-bromo-2-[(3-ethylphenoxy)methyl]thiophene
CID 63457538
4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxylic acid;hydrochloride
CID 18593832

Frequently Asked Questions

What is the IUPAC name of [2-(phenoxymethyl)thiophen-3-yl]boronic acid?
The IUPAC name of [2-(phenoxymethyl)thiophen-3-yl]boronic acid (CID 175098707) is [2-(phenoxymethyl)thiophen-3-yl]boronic acid.
What is the SMILES notation for [2-(phenoxymethyl)thiophen-3-yl]boronic acid?
The canonical SMILES for [2-(phenoxymethyl)thiophen-3-yl]boronic acid is OB(O)c1ccsc1COc1ccccc1.
What is the InChIKey of [2-(phenoxymethyl)thiophen-3-yl]boronic acid?
The InChIKey is XBEQSSDXVILAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BO3S/c13-12(14)10-6-7-16-11(10)8-15-9-4-2-1-3-5-9/h1-7,13-14H,8H2.
What are the key properties of [2-(phenoxymethyl)thiophen-3-yl]boronic acid?
[2-(phenoxymethyl)thiophen-3-yl]boronic acid has a molecular weight of 234.09 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(phenoxymethyl)thiophen-3-yl]boronic acid is sourced from PubChem (CID 175098707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).