butoxy-(2-methoxyphenyl)borinic acid

C11H17BO3 — CID 174770895

IUPACbutoxy-(2-methoxyphenyl)borinic acid
SMILESCCCCOB(O)c1ccccc1OC
InChIInChI=1S/C11H17BO3/c1-3-4-9-15-12(13)10-7-5-6-8-11(10)14-2/h5-8,13H,3-4,9H2,1-2H3
InChIKeyPPVARJQZQAPMRG-UHFFFAOYSA-N
MW208.07 g/mol
LogP1.20
Rot. Bonds6

About butoxy-(2-methoxyphenyl)borinic acid

butoxy-(2-methoxyphenyl)borinic acid (PubChem CID 174770895) has the molecular formula C11H17BO3 and a molecular weight of 208.07 g/mol. Its IUPAC name is butoxy-(2-methoxyphenyl)borinic acid.

Molecular Properties

Compound Namebutoxy-(2-methoxyphenyl)borinic acid
PubChem CID174770895
Molecular FormulaC11H17BO3
Molecular Weight208.07 g/mol
Exact Mass208.13
IUPAC Namebutoxy-(2-methoxyphenyl)borinic acid
SMILESCCCCOB(O)c1ccccc1OC
InChIInChI=1S/C11H17BO3/c1-3-4-9-15-12(13)10-7-5-6-8-11(10)14-2/h5-8,13H,3-4,9H2,1-2H3
InChIKeyPPVARJQZQAPMRG-UHFFFAOYSA-N
XLogP1.20
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.07
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methoxyphenyl)boronic acid
CID 2733958
aminooxy-(2-methoxyphenyl)borinic acid
CID 141379819
bromooxy-(2-methoxyphenyl)borinic acid
CID 174742163
chlorooxy-(2-methoxyphenyl)borinic acid
CID 141079406
butoxy(pyren-1-yl)borinic acid
CID 141214000
(2-propoxyphenyl)boronic acid
CID 4219796
(2-methoxyphenyl)boronic acid;toluene
CID 159956839
2-(1-butoxyethenyl)-1,3-dimethoxybenzene
CID 102226574
butyl 2-(2-methoxyphenoxy)acetate
CID 54941635
[2-(4-methoxybutoxy)phenyl]boronic acid
CID 104648198
3-butoxy-1-(2-methoxyphenyl)propan-1-one
CID 55096402
(2-methoxyphenyl)boronic acid;(2,3,4,5,6-pentafluorophenyl)boronic acid
CID 172849713

Frequently Asked Questions

What is the IUPAC name of butoxy-(2-methoxyphenyl)borinic acid?
The IUPAC name of butoxy-(2-methoxyphenyl)borinic acid (CID 174770895) is butoxy-(2-methoxyphenyl)borinic acid.
What is the SMILES notation for butoxy-(2-methoxyphenyl)borinic acid?
The canonical SMILES for butoxy-(2-methoxyphenyl)borinic acid is CCCCOB(O)c1ccccc1OC.
What is the InChIKey of butoxy-(2-methoxyphenyl)borinic acid?
The InChIKey is PPVARJQZQAPMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BO3/c1-3-4-9-15-12(13)10-7-5-6-8-11(10)14-2/h5-8,13H,3-4,9H2,1-2H3.
What are the key properties of butoxy-(2-methoxyphenyl)borinic acid?
butoxy-(2-methoxyphenyl)borinic acid has a molecular weight of 208.07 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-(2-methoxyphenyl)borinic acid is sourced from PubChem (CID 174770895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).