[2-(3,4-dimethoxyphenyl)phenyl]boronic acid

C14H15BO4 — CID 135023624

IUPAC[2-(3,4-dimethoxyphenyl)phenyl]boronic acid
SMILESCOc1ccc(-c2ccccc2B(O)O)cc1OC
InChIInChI=1S/C14H15BO4/c1-18-13-8-7-10(9-14(13)19-2)11-5-3-4-6-12(11)15(16)17/h3-9,16-17H,1-2H3
InChIKeyOCLFTYYETRUFLU-UHFFFAOYSA-N
MW258.08 g/mol
LogP1.05
Rot. Bonds4

About [2-(3,4-dimethoxyphenyl)phenyl]boronic acid

[2-(3,4-dimethoxyphenyl)phenyl]boronic acid (PubChem CID 135023624) has the molecular formula C14H15BO4 and a molecular weight of 258.08 g/mol. Its IUPAC name is [2-(3,4-dimethoxyphenyl)phenyl]boronic acid.

Molecular Properties

Compound Name[2-(3,4-dimethoxyphenyl)phenyl]boronic acid
PubChem CID135023624
Molecular FormulaC14H15BO4
Molecular Weight258.08 g/mol
Exact Mass258.11
IUPAC Name[2-(3,4-dimethoxyphenyl)phenyl]boronic acid
SMILESCOc1ccc(-c2ccccc2B(O)O)cc1OC
InChIInChI=1S/C14H15BO4/c1-18-13-8-7-10(9-14(13)19-2)11-5-3-4-6-12(11)15(16)17/h3-9,16-17H,1-2H3
InChIKeyOCLFTYYETRUFLU-UHFFFAOYSA-N
XLogP1.05
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.08
LogP ≤ 51.05
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-bromo-4,5-dimethoxyphenyl)phenyl]boronic acid
CID 135042244
(2-methoxyphenyl)boronic acid
CID 2733958
[2-(3-phenylphenyl)phenyl]boronic acid
CID 23033858
3-(3,4-dimethoxyphenyl)-2-methoxybenzoic acid
CID 53227259
[3-(3,4-dimethoxyphenyl)-2-pyridinyl]methanol
CID 54504327
2-[2-(3,4-dimethoxyphenyl)phenyl]acetaldehyde
CID 87253869
[2-(3,4-dimethoxyphenyl)phenyl]methylidenehydrazine
CID 168529643
4-(2-chlorophenyl)-2-methoxybenzoic acid
CID 53225805
3-[2-(3,4-dimethoxyphenyl)phenyl]propan-1-amine
CID 69397139
3-(3,4-dimethoxyphenyl)-4-hydroxynaphthalene-1,2-dione
CID 10781237
2-(3,4-dimethoxyphenyl)naphthalene
CID 10890732
(2-methoxyphenyl)boronic acid;toluene
CID 159956839

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethoxyphenyl)phenyl]boronic acid?
The IUPAC name of [2-(3,4-dimethoxyphenyl)phenyl]boronic acid (CID 135023624) is [2-(3,4-dimethoxyphenyl)phenyl]boronic acid.
What is the SMILES notation for [2-(3,4-dimethoxyphenyl)phenyl]boronic acid?
The canonical SMILES for [2-(3,4-dimethoxyphenyl)phenyl]boronic acid is COc1ccc(-c2ccccc2B(O)O)cc1OC.
What is the InChIKey of [2-(3,4-dimethoxyphenyl)phenyl]boronic acid?
The InChIKey is OCLFTYYETRUFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BO4/c1-18-13-8-7-10(9-14(13)19-2)11-5-3-4-6-12(11)15(16)17/h3-9,16-17H,1-2H3.
What are the key properties of [2-(3,4-dimethoxyphenyl)phenyl]boronic acid?
[2-(3,4-dimethoxyphenyl)phenyl]boronic acid has a molecular weight of 258.08 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethoxyphenyl)phenyl]boronic acid is sourced from PubChem (CID 135023624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).