(2,6-dichloro-3-methoxyphenyl)boronic acid

C7H7BCl2O3 — CID 57497288

IUPAC(2,6-dichloro-3-methoxyphenyl)boronic acid
SMILESCOc1ccc(Cl)c(B(O)O)c1Cl
InChIInChI=1S/C7H7BCl2O3/c1-13-5-3-2-4(9)6(7(5)10)8(11)12/h2-3,11-12H,1H3
InChIKeyYSIVMUOSCRYSHE-UHFFFAOYSA-N
MW220.85 g/mol
LogP0.68
Rot. Bonds2

About (2,6-dichloro-3-methoxyphenyl)boronic acid

(2,6-dichloro-3-methoxyphenyl)boronic acid (PubChem CID 57497288) has the molecular formula C7H7BCl2O3 and a molecular weight of 220.85 g/mol. Its IUPAC name is (2,6-dichloro-3-methoxyphenyl)boronic acid.

Molecular Properties

Compound Name(2,6-dichloro-3-methoxyphenyl)boronic acid
PubChem CID57497288
Molecular FormulaC7H7BCl2O3
Molecular Weight220.85 g/mol
Exact Mass219.99
IUPAC Name(2,6-dichloro-3-methoxyphenyl)boronic acid
SMILESCOc1ccc(Cl)c(B(O)O)c1Cl
InChIInChI=1S/C7H7BCl2O3/c1-13-5-3-2-4(9)6(7(5)10)8(11)12/h2-3,11-12H,1H3
InChIKeyYSIVMUOSCRYSHE-UHFFFAOYSA-N
XLogP0.68
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.85
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tris(2,6-dichloro-3-methoxyphenyl)borane
CID 87742290
(2,6-dichloro-3-ethoxyphenyl)boronic acid
CID 171367474
(5-chloro-2-methoxynaphthalen-1-yl)boronic acid
CID 168880110
(2,3-dichloro-6-methoxyphenyl)methanol
CID 130133361
[6-chloro-2-fluoro-3-(methoxymethoxy)phenyl]boronic acid
CID 138987196
methyl 2,6-dichloro-3-methoxybenzoate
CID 72942143
(2,6-dichloro-3-methoxyphenyl) acetate
CID 57203396
(3,4-dichloro-5-methoxyphenyl)boronic acid
CID 163201370
(3-chloro-6-methoxyisoquinolin-5-yl)boronic acid
CID 168880108
[3-[tert-butyl(dimethyl)silyl]oxy-6-chloro-2-fluorophenyl]boronic acid
CID 171338487
1,3-dichloro-4-methoxy-2-nitrobenzene
CID 20513886
1,2-dichloro-4-(2,3-dichloro-4-methoxyphenyl)-3-methoxybenzene
CID 54485127

Frequently Asked Questions

What is the IUPAC name of (2,6-dichloro-3-methoxyphenyl)boronic acid?
The IUPAC name of (2,6-dichloro-3-methoxyphenyl)boronic acid (CID 57497288) is (2,6-dichloro-3-methoxyphenyl)boronic acid.
What is the SMILES notation for (2,6-dichloro-3-methoxyphenyl)boronic acid?
The canonical SMILES for (2,6-dichloro-3-methoxyphenyl)boronic acid is COc1ccc(Cl)c(B(O)O)c1Cl.
What is the InChIKey of (2,6-dichloro-3-methoxyphenyl)boronic acid?
The InChIKey is YSIVMUOSCRYSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BCl2O3/c1-13-5-3-2-4(9)6(7(5)10)8(11)12/h2-3,11-12H,1H3.
What are the key properties of (2,6-dichloro-3-methoxyphenyl)boronic acid?
(2,6-dichloro-3-methoxyphenyl)boronic acid has a molecular weight of 220.85 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichloro-3-methoxyphenyl)boronic acid is sourced from PubChem (CID 57497288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).