[3-(2-hydroxyethyl)phenyl]boronic acid

C8H11BO3 — CID 21091620

IUPAC[3-(2-hydroxyethyl)phenyl]boronic acid
SMILESOCCc1cccc(B(O)O)c1
InChIInChI=1S/C8H11BO3/c10-5-4-7-2-1-3-8(6-7)9(11)12/h1-3,6,10-12H,4-5H2
InChIKeyGCSYFWQBJAJDGY-UHFFFAOYSA-N
MW165.99 g/mol
LogP-1.10
Rot. Bonds3

About [3-(2-hydroxyethyl)phenyl]boronic acid

[3-(2-hydroxyethyl)phenyl]boronic acid (PubChem CID 21091620) has the molecular formula C8H11BO3 and a molecular weight of 165.99 g/mol. Its IUPAC name is [3-(2-hydroxyethyl)phenyl]boronic acid.

Molecular Properties

Compound Name[3-(2-hydroxyethyl)phenyl]boronic acid
PubChem CID21091620
Molecular FormulaC8H11BO3
Molecular Weight165.99 g/mol
Exact Mass166.08
IUPAC Name[3-(2-hydroxyethyl)phenyl]boronic acid
SMILESOCCc1cccc(B(O)O)c1
InChIInChI=1S/C8H11BO3/c10-5-4-7-2-1-3-8(6-7)9(11)12/h1-3,6,10-12H,4-5H2
InChIKeyGCSYFWQBJAJDGY-UHFFFAOYSA-N
XLogP-1.10
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.99
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 [3-(2-hydroxyethyl)phenyl]boronic acid?
The IUPAC name of [3-(2-hydroxyethyl)phenyl]boronic acid (CID 21091620) is [3-(2-hydroxyethyl)phenyl]boronic acid.
What is the SMILES notation for [3-(2-hydroxyethyl)phenyl]boronic acid?
The canonical SMILES for [3-(2-hydroxyethyl)phenyl]boronic acid is OCCc1cccc(B(O)O)c1.
What is the InChIKey of [3-(2-hydroxyethyl)phenyl]boronic acid?
The InChIKey is GCSYFWQBJAJDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BO3/c10-5-4-7-2-1-3-8(6-7)9(11)12/h1-3,6,10-12H,4-5H2.
What are the key properties of [3-(2-hydroxyethyl)phenyl]boronic acid?
[3-(2-hydroxyethyl)phenyl]boronic acid has a molecular weight of 165.99 g/mol, XLogP of -1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxyethyl)phenyl]boronic acid is sourced from PubChem (CID 21091620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).