2-hydroxyethoxy(thiophen-2-yl)borinic acid

C6H9BO3S — CID 66918159

IUPAC2-hydroxyethoxy(thiophen-2-yl)borinic acid
SMILESOCCOB(O)c1cccs1
InChIInChI=1S/C6H9BO3S/c8-3-4-10-7(9)6-2-1-5-11-6/h1-2,5,8-9H,3-4H2
InChIKeyXZLPYUPIVAWHJR-UHFFFAOYSA-N
MW172.01 g/mol
LogP-0.56
Rot. Bonds4

About 2-hydroxyethoxy(thiophen-2-yl)borinic acid

2-hydroxyethoxy(thiophen-2-yl)borinic acid (PubChem CID 66918159) has the molecular formula C6H9BO3S and a molecular weight of 172.01 g/mol. Its IUPAC name is 2-hydroxyethoxy(thiophen-2-yl)borinic acid.

Molecular Properties

Compound Name2-hydroxyethoxy(thiophen-2-yl)borinic acid
PubChem CID66918159
Molecular FormulaC6H9BO3S
Molecular Weight172.01 g/mol
Exact Mass172.04
IUPAC Name2-hydroxyethoxy(thiophen-2-yl)borinic acid
SMILESOCCOB(O)c1cccs1
InChIInChI=1S/C6H9BO3S/c8-3-4-10-7(9)6-2-1-5-11-6/h1-2,5,8-9H,3-4H2
InChIKeyXZLPYUPIVAWHJR-UHFFFAOYSA-N
XLogP-0.56
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.01
LogP ≤ 5-0.56
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-hydroxyethoxy(thiophen-2-yl)borinic acid?
The IUPAC name of 2-hydroxyethoxy(thiophen-2-yl)borinic acid (CID 66918159) is 2-hydroxyethoxy(thiophen-2-yl)borinic acid.
What is the SMILES notation for 2-hydroxyethoxy(thiophen-2-yl)borinic acid?
The canonical SMILES for 2-hydroxyethoxy(thiophen-2-yl)borinic acid is OCCOB(O)c1cccs1.
What is the InChIKey of 2-hydroxyethoxy(thiophen-2-yl)borinic acid?
The InChIKey is XZLPYUPIVAWHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BO3S/c8-3-4-10-7(9)6-2-1-5-11-6/h1-2,5,8-9H,3-4H2.
What are the key properties of 2-hydroxyethoxy(thiophen-2-yl)borinic acid?
2-hydroxyethoxy(thiophen-2-yl)borinic acid has a molecular weight of 172.01 g/mol, XLogP of -0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethoxy(thiophen-2-yl)borinic acid is sourced from PubChem (CID 66918159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).