(5-ethyl-2-hydroxyphenyl)boronic acid

C8H11BO3 — CID 18617035

IUPAC(5-ethyl-2-hydroxyphenyl)boronic acid
SMILESCCc1ccc(O)c(B(O)O)c1
InChIInChI=1S/C8H11BO3/c1-2-6-3-4-8(10)7(5-6)9(11)12/h3-5,10-12H,2H2,1H3
InChIKeyCPGQGJFPSZFPTO-UHFFFAOYSA-N
MW165.99 g/mol
LogP-0.37
Rot. Bonds2

About (5-ethyl-2-hydroxyphenyl)boronic acid

(5-ethyl-2-hydroxyphenyl)boronic acid (PubChem CID 18617035) has the molecular formula C8H11BO3 and a molecular weight of 165.99 g/mol. Its IUPAC name is (5-ethyl-2-hydroxyphenyl)boronic acid.

Molecular Properties

Compound Name(5-ethyl-2-hydroxyphenyl)boronic acid
PubChem CID18617035
Molecular FormulaC8H11BO3
Molecular Weight165.99 g/mol
Exact Mass166.08
IUPAC Name(5-ethyl-2-hydroxyphenyl)boronic acid
SMILESCCc1ccc(O)c(B(O)O)c1
InChIInChI=1S/C8H11BO3/c1-2-6-3-4-8(10)7(5-6)9(11)12/h3-5,10-12H,2H2,1H3
InChIKeyCPGQGJFPSZFPTO-UHFFFAOYSA-N
XLogP-0.37
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.99
LogP ≤ 5-0.37
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 (5-ethyl-2-hydroxyphenyl)boronic acid?
The IUPAC name of (5-ethyl-2-hydroxyphenyl)boronic acid (CID 18617035) is (5-ethyl-2-hydroxyphenyl)boronic acid.
What is the SMILES notation for (5-ethyl-2-hydroxyphenyl)boronic acid?
The canonical SMILES for (5-ethyl-2-hydroxyphenyl)boronic acid is CCc1ccc(O)c(B(O)O)c1.
What is the InChIKey of (5-ethyl-2-hydroxyphenyl)boronic acid?
The InChIKey is CPGQGJFPSZFPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BO3/c1-2-6-3-4-8(10)7(5-6)9(11)12/h3-5,10-12H,2H2,1H3.
What are the key properties of (5-ethyl-2-hydroxyphenyl)boronic acid?
(5-ethyl-2-hydroxyphenyl)boronic acid has a molecular weight of 165.99 g/mol, XLogP of -0.37, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-2-hydroxyphenyl)boronic acid is sourced from PubChem (CID 18617035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).