[(E)-2-(2-ethoxyphenyl)ethenyl]boronic acid

C10H13BO3 — CID 81222532

IUPAC[(E)-2-(2-ethoxyphenyl)ethenyl]boronic acid
SMILESCCOc1ccccc1/C=C/B(O)O
InChIInChI=1S/C10H13BO3/c1-2-14-10-6-4-3-5-9(10)7-8-11(12)13/h3-8,12-13H,2H2,1H3/b8-7+
InChIKeyBIVUGKUXTUYHSE-BQYQJAHWSA-N
MW192.02 g/mol
LogP1.11
Rot. Bonds4

About [(E)-2-(2-ethoxyphenyl)ethenyl]boronic acid

[(E)-2-(2-ethoxyphenyl)ethenyl]boronic acid (PubChem CID 81222532) has the molecular formula C10H13BO3 and a molecular weight of 192.02 g/mol. Its IUPAC name is [(E)-2-(2-ethoxyphenyl)ethenyl]boronic acid.

Molecular Properties

Compound Name[(E)-2-(2-ethoxyphenyl)ethenyl]boronic acid
PubChem CID81222532
Molecular FormulaC10H13BO3
Molecular Weight192.02 g/mol
Exact Mass192.10
IUPAC Name[(E)-2-(2-ethoxyphenyl)ethenyl]boronic acid
SMILESCCOc1ccccc1/C=C/B(O)O
InChIInChI=1S/C10H13BO3/c1-2-14-10-6-4-3-5-9(10)7-8-11(12)13/h3-8,12-13H,2H2,1H3/b8-7+
InChIKeyBIVUGKUXTUYHSE-BQYQJAHWSA-N
XLogP1.11
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.02
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(E)-2-(2-ethoxyphenyl)ethenyl]boronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethoxybenzaldehyde;hydrofluoride
CID 157329385
3-(2-ethoxyphenyl)-N-ethylprop-2-enamide
CID 76872072
1-(4-chlorobut-1-enyl)-2-ethoxybenzene
CID 79602930
4-(2-ethoxyphenyl)but-3-en-1-amine
CID 76997332
3-(2-ethoxyphenyl)-N,N-dimethylprop-2-enamide
CID 76872157
4-(2-ethoxyphenyl)but-3-enenitrile
CID 170799590
(2-ethoxyphenyl)boronic acid
CID 2734902
N-[3-(2-ethoxyphenyl)prop-2-enyl]acetamide
CID 169465357
propan-2-yl 3-(2-ethoxyphenyl)prop-2-enoate
CID 77493840
(E)-3-(2-ethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one
CID 39369360
chloro-[(2-ethoxyphenyl)methylidene]ruthenium
CID 58568266
4-(2-ethoxyphenyl)-N-ethylbut-3-en-1-amine
CID 79590816

Frequently Asked Questions

What is the IUPAC name of [(E)-2-(2-ethoxyphenyl)ethenyl]boronic acid?
The IUPAC name of [(E)-2-(2-ethoxyphenyl)ethenyl]boronic acid (CID 81222532) is [(E)-2-(2-ethoxyphenyl)ethenyl]boronic acid.
What is the SMILES notation for [(E)-2-(2-ethoxyphenyl)ethenyl]boronic acid?
The canonical SMILES for [(E)-2-(2-ethoxyphenyl)ethenyl]boronic acid is CCOc1ccccc1/C=C/B(O)O.
What is the InChIKey of [(E)-2-(2-ethoxyphenyl)ethenyl]boronic acid?
The InChIKey is BIVUGKUXTUYHSE-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H13BO3/c1-2-14-10-6-4-3-5-9(10)7-8-11(12)13/h3-8,12-13H,2H2,1H3/b8-7+.
What are the key properties of [(E)-2-(2-ethoxyphenyl)ethenyl]boronic acid?
[(E)-2-(2-ethoxyphenyl)ethenyl]boronic acid has a molecular weight of 192.02 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-(2-ethoxyphenyl)ethenyl]boronic acid is sourced from PubChem (CID 81222532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).