chlorooxy-(2-methoxyphenyl)borinic acid

C7H8BClO3 — CID 141079406

IUPACchlorooxy-(2-methoxyphenyl)borinic acid
SMILESCOc1ccccc1B(O)OCl
InChIInChI=1S/C7H8BClO3/c1-11-7-5-3-2-4-6(7)8(10)12-9/h2-5,10H,1H3
InChIKeyJBLITDPHLIUIKM-UHFFFAOYSA-N
MW186.40 g/mol
LogP0.55
Rot. Bonds3

About chlorooxy-(2-methoxyphenyl)borinic acid

chlorooxy-(2-methoxyphenyl)borinic acid (PubChem CID 141079406) has the molecular formula C7H8BClO3 and a molecular weight of 186.40 g/mol. Its IUPAC name is chlorooxy-(2-methoxyphenyl)borinic acid.

Molecular Properties

Compound Namechlorooxy-(2-methoxyphenyl)borinic acid
PubChem CID141079406
Molecular FormulaC7H8BClO3
Molecular Weight186.40 g/mol
Exact Mass186.03
IUPAC Namechlorooxy-(2-methoxyphenyl)borinic acid
SMILESCOc1ccccc1B(O)OCl
InChIInChI=1S/C7H8BClO3/c1-11-7-5-3-2-4-6(7)8(10)12-9/h2-5,10H,1H3
InChIKeyJBLITDPHLIUIKM-UHFFFAOYSA-N
XLogP0.55
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.40
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-methoxyphenyl)boronic acid
CID 2733958
aminooxy-(2-methoxyphenyl)borinic acid
CID 141379819
bromooxy-(2-methoxyphenyl)borinic acid
CID 174742163
(2-methoxyphenyl)boronic acid;toluene
CID 159956839
butoxy-(2-methoxyphenyl)borinic acid
CID 174770895
(2-methoxyphenyl)boronic acid;(2,3,4,5,6-pentafluorophenyl)boronic acid
CID 172849713
azane;2-methoxyphenol
CID 172717837
dichlorotitanium;bis(2-methoxyphenol)
CID 164736686
2-methoxyphenol;molecular bromine
CID 141484212
methanethiol;2-methoxyphenol
CID 141484211
1,2-dimethoxybenzene;dihydrochloride
CID 19834650
azane;1,2-dimethoxybenzene
CID 174437926

Frequently Asked Questions

What is the IUPAC name of chlorooxy-(2-methoxyphenyl)borinic acid?
The IUPAC name of chlorooxy-(2-methoxyphenyl)borinic acid (CID 141079406) is chlorooxy-(2-methoxyphenyl)borinic acid.
What is the SMILES notation for chlorooxy-(2-methoxyphenyl)borinic acid?
The canonical SMILES for chlorooxy-(2-methoxyphenyl)borinic acid is COc1ccccc1B(O)OCl.
What is the InChIKey of chlorooxy-(2-methoxyphenyl)borinic acid?
The InChIKey is JBLITDPHLIUIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BClO3/c1-11-7-5-3-2-4-6(7)8(10)12-9/h2-5,10H,1H3.
What are the key properties of chlorooxy-(2-methoxyphenyl)borinic acid?
chlorooxy-(2-methoxyphenyl)borinic acid has a molecular weight of 186.40 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chlorooxy-(2-methoxyphenyl)borinic acid is sourced from PubChem (CID 141079406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).