2-(3-hydroxyphenyl)ethylboronic acid

C8H11BO3 — CID 55255673

IUPAC2-(3-hydroxyphenyl)ethylboronic acid
SMILESOB(O)CCc1cccc(O)c1
InChIInChI=1S/C8H11BO3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6,10-12H,4-5H2
InChIKeyZXSMDPUXMHWDCC-UHFFFAOYSA-N
MW165.99 g/mol
LogP0.41
Rot. Bonds3

About 2-(3-hydroxyphenyl)ethylboronic acid

2-(3-hydroxyphenyl)ethylboronic acid (PubChem CID 55255673) has the molecular formula C8H11BO3 and a molecular weight of 165.99 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)ethylboronic acid.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)ethylboronic acid
PubChem CID55255673
Molecular FormulaC8H11BO3
Molecular Weight165.99 g/mol
Exact Mass166.08
IUPAC Name2-(3-hydroxyphenyl)ethylboronic acid
SMILESOB(O)CCc1cccc(O)c1
InChIInChI=1S/C8H11BO3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6,10-12H,4-5H2
InChIKeyZXSMDPUXMHWDCC-UHFFFAOYSA-N
XLogP0.41
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 ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[12-(3-hydroxyphenyl)dodecyl]phenol
CID 169297924
3-(4-hydroxybutyl)phenol
CID 19991537
3-[2-[4-[4-[2-(3-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol
CID 172870683
3-[2-[2-(3-hydroxyphenyl)ethoxy]ethyl]phenol
CID 23050674
3-(3-sulfanylpropyl)phenol
CID 57206434
3-(4-iodobutyl)phenol
CID 174588102
3-(2-aminooxyethyl)phenol
CID 83479668
2-[2-(3-hydroxyphenyl)ethyl]phenol
CID 10560581
phenol;3-propylphenol
CID 66960022
CID 57453999
CID 57453999
3-hentriacontylphenol
CID 101292722
3-(2-aminoethyl)phenol;thiourea
CID 159787139

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)ethylboronic acid?
The IUPAC name of 2-(3-hydroxyphenyl)ethylboronic acid (CID 55255673) is 2-(3-hydroxyphenyl)ethylboronic acid.
What is the SMILES notation for 2-(3-hydroxyphenyl)ethylboronic acid?
The canonical SMILES for 2-(3-hydroxyphenyl)ethylboronic acid is OB(O)CCc1cccc(O)c1.
What is the InChIKey of 2-(3-hydroxyphenyl)ethylboronic acid?
The InChIKey is ZXSMDPUXMHWDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BO3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6,10-12H,4-5H2.
What are the key properties of 2-(3-hydroxyphenyl)ethylboronic acid?
2-(3-hydroxyphenyl)ethylboronic acid has a molecular weight of 165.99 g/mol, XLogP of 0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)ethylboronic acid is sourced from PubChem (CID 55255673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).