[(E)-2-(2,5-dimethoxyphenyl)ethenyl]boronic acid

C10H13BO4 — CID 81222718

IUPAC[(E)-2-(2,5-dimethoxyphenyl)ethenyl]boronic acid
SMILESCOc1ccc(OC)c(/C=C/B(O)O)c1
InChIInChI=1S/C10H13BO4/c1-14-9-3-4-10(15-2)8(7-9)5-6-11(12)13/h3-7,12-13H,1-2H3/b6-5+
InChIKeyXOVGFTZLYVRUKN-AATRIKPKSA-N
MW208.02 g/mol
LogP0.73
Rot. Bonds4

About [(E)-2-(2,5-dimethoxyphenyl)ethenyl]boronic acid

[(E)-2-(2,5-dimethoxyphenyl)ethenyl]boronic acid (PubChem CID 81222718) has the molecular formula C10H13BO4 and a molecular weight of 208.02 g/mol. Its IUPAC name is [(E)-2-(2,5-dimethoxyphenyl)ethenyl]boronic acid.

Molecular Properties

Compound Name[(E)-2-(2,5-dimethoxyphenyl)ethenyl]boronic acid
PubChem CID81222718
Molecular FormulaC10H13BO4
Molecular Weight208.02 g/mol
Exact Mass208.09
IUPAC Name[(E)-2-(2,5-dimethoxyphenyl)ethenyl]boronic acid
SMILESCOc1ccc(OC)c(/C=C/B(O)O)c1
InChIInChI=1S/C10H13BO4/c1-14-9-3-4-10(15-2)8(7-9)5-6-11(12)13/h3-7,12-13H,1-2H3/b6-5+
InChIKeyXOVGFTZLYVRUKN-AATRIKPKSA-N
XLogP0.73
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.02
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-iodoethenyl)-1,4-dimethoxybenzene
CID 57364234
1,4-dimethoxy-2-(2-methoxyethenyl)benzene
CID 67174730
2-[(E)-2-iodoethenyl]-1,4-dimethoxybenzene
CID 46839985
1,4-dimethoxy-2-[(E)-3-methylbut-1-enyl]benzene
CID 130417604
4-(2,5-dimethoxyphenyl)but-3-en-1-ol
CID 170476817
N-[(2,5-dimethoxyphenyl)methylidene]hydroxylamine
CID 2755791
6-(2,5-dimethoxyphenyl)-4-oxohexa-2,5-dienoic acid
CID 54025408
(E)-1-(2,4-dimethoxyphenyl)-3-(2,5-dimethoxyphenyl)prop-2-en-1-one
CID 5332328
4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]pyridine
CID 144798319
3-(2,5-dimethoxyphenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 2860349
3-(2,5-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 732638
N,3-bis(2,5-dimethoxyphenyl)prop-2-enamide
CID 732464

Frequently Asked Questions

What is the IUPAC name of [(E)-2-(2,5-dimethoxyphenyl)ethenyl]boronic acid?
The IUPAC name of [(E)-2-(2,5-dimethoxyphenyl)ethenyl]boronic acid (CID 81222718) is [(E)-2-(2,5-dimethoxyphenyl)ethenyl]boronic acid.
What is the SMILES notation for [(E)-2-(2,5-dimethoxyphenyl)ethenyl]boronic acid?
The canonical SMILES for [(E)-2-(2,5-dimethoxyphenyl)ethenyl]boronic acid is COc1ccc(OC)c(/C=C/B(O)O)c1.
What is the InChIKey of [(E)-2-(2,5-dimethoxyphenyl)ethenyl]boronic acid?
The InChIKey is XOVGFTZLYVRUKN-AATRIKPKSA-N. The full InChI is InChI=1S/C10H13BO4/c1-14-9-3-4-10(15-2)8(7-9)5-6-11(12)13/h3-7,12-13H,1-2H3/b6-5+.
What are the key properties of [(E)-2-(2,5-dimethoxyphenyl)ethenyl]boronic acid?
[(E)-2-(2,5-dimethoxyphenyl)ethenyl]boronic acid has a molecular weight of 208.02 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-(2,5-dimethoxyphenyl)ethenyl]boronic acid is sourced from PubChem (CID 81222718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).