[2,4-dichloro-5-(2-methoxyethoxy)phenyl]boronic acid

C9H11BCl2O4 — CID 53216451

IUPAC[2,4-dichloro-5-(2-methoxyethoxy)phenyl]boronic acid
SMILESCOCCOc1cc(B(O)O)c(Cl)cc1Cl
InChIInChI=1S/C9H11BCl2O4/c1-15-2-3-16-9-4-6(10(13)14)7(11)5-8(9)12/h4-5,13-14H,2-3H2,1H3
InChIKeyRNOGFSLJRIPEMF-UHFFFAOYSA-N
MW264.90 g/mol
LogP0.70
Rot. Bonds5

About [2,4-dichloro-5-(2-methoxyethoxy)phenyl]boronic acid

[2,4-dichloro-5-(2-methoxyethoxy)phenyl]boronic acid (PubChem CID 53216451) has the molecular formula C9H11BCl2O4 and a molecular weight of 264.90 g/mol. Its IUPAC name is [2,4-dichloro-5-(2-methoxyethoxy)phenyl]boronic acid.

Molecular Properties

Compound Name[2,4-dichloro-5-(2-methoxyethoxy)phenyl]boronic acid
PubChem CID53216451
Molecular FormulaC9H11BCl2O4
Molecular Weight264.90 g/mol
Exact Mass264.01
IUPAC Name[2,4-dichloro-5-(2-methoxyethoxy)phenyl]boronic acid
SMILESCOCCOc1cc(B(O)O)c(Cl)cc1Cl
InChIInChI=1S/C9H11BCl2O4/c1-15-2-3-16-9-4-6(10(13)14)7(11)5-8(9)12/h4-5,13-14H,2-3H2,1H3
InChIKeyRNOGFSLJRIPEMF-UHFFFAOYSA-N
XLogP0.70
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.90
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2,4-difluoro-5-(2-methoxyethoxy)phenyl]boronic acid
CID 53216565
1,5-dichloro-2-iodo-3-(2-methoxyethoxy)benzene
CID 141259276
3-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-1H-imidazole-2-thione
CID 3273361
2-[[2,4-dichloro-5-(2-methoxyethoxy)anilino]methylidene]propanedinitrile
CID 168545114
[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-methylphenyl]boronic acid
CID 104564329
3-chloro-4-(4-methoxybutoxy)benzoic acid
CID 104646800
[3-(2-methoxyethoxy)-2-methylphenyl]boronic acid
CID 131700786
dimethyl 3-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168635660
(2-chloro-4-fluoro-5-methoxyphenyl)boronic acid;ethane
CID 177217890
2-(2,4,5-trichlorophenoxy)ethanol
CID 87745106
2-bromo-1-chloro-3-(2-methoxyethoxy)benzene
CID 156587191
[2-[(2,4,5-trichlorophenoxy)methyl]phenyl]boronic acid
CID 63457088

Frequently Asked Questions

What is the IUPAC name of [2,4-dichloro-5-(2-methoxyethoxy)phenyl]boronic acid?
The IUPAC name of [2,4-dichloro-5-(2-methoxyethoxy)phenyl]boronic acid (CID 53216451) is [2,4-dichloro-5-(2-methoxyethoxy)phenyl]boronic acid.
What is the SMILES notation for [2,4-dichloro-5-(2-methoxyethoxy)phenyl]boronic acid?
The canonical SMILES for [2,4-dichloro-5-(2-methoxyethoxy)phenyl]boronic acid is COCCOc1cc(B(O)O)c(Cl)cc1Cl.
What is the InChIKey of [2,4-dichloro-5-(2-methoxyethoxy)phenyl]boronic acid?
The InChIKey is RNOGFSLJRIPEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BCl2O4/c1-15-2-3-16-9-4-6(10(13)14)7(11)5-8(9)12/h4-5,13-14H,2-3H2,1H3.
What are the key properties of [2,4-dichloro-5-(2-methoxyethoxy)phenyl]boronic acid?
[2,4-dichloro-5-(2-methoxyethoxy)phenyl]boronic acid has a molecular weight of 264.90 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-dichloro-5-(2-methoxyethoxy)phenyl]boronic acid is sourced from PubChem (CID 53216451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).