(5-tert-butyl-2-methoxyphenyl)boronic acid

C11H17BO3 — CID 14740579

IUPAC(5-tert-butyl-2-methoxyphenyl)boronic acid
SMILESCOc1ccc(C(C)(C)C)cc1B(O)O
InChIInChI=1S/C11H17BO3/c1-11(2,3)8-5-6-10(15-4)9(7-8)12(13)14/h5-7,13-14H,1-4H3
InChIKeyLXFOJKCQSAYVMF-UHFFFAOYSA-N
MW208.07 g/mol
LogP0.67
Rot. Bonds2

About (5-tert-butyl-2-methoxyphenyl)boronic acid

(5-tert-butyl-2-methoxyphenyl)boronic acid (PubChem CID 14740579) has the molecular formula C11H17BO3 and a molecular weight of 208.07 g/mol. Its IUPAC name is (5-tert-butyl-2-methoxyphenyl)boronic acid.

Molecular Properties

Compound Name(5-tert-butyl-2-methoxyphenyl)boronic acid
PubChem CID14740579
Molecular FormulaC11H17BO3
Molecular Weight208.07 g/mol
Exact Mass208.13
IUPAC Name(5-tert-butyl-2-methoxyphenyl)boronic acid
SMILESCOc1ccc(C(C)(C)C)cc1B(O)O
InChIInChI=1S/C11H17BO3/c1-11(2,3)8-5-6-10(15-4)9(7-8)12(13)14/h5-7,13-14H,1-4H3
InChIKeyLXFOJKCQSAYVMF-UHFFFAOYSA-N
XLogP0.67
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.07
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-2-methoxyphenyl)boronic acid?
The IUPAC name of (5-tert-butyl-2-methoxyphenyl)boronic acid (CID 14740579) is (5-tert-butyl-2-methoxyphenyl)boronic acid.
What is the SMILES notation for (5-tert-butyl-2-methoxyphenyl)boronic acid?
The canonical SMILES for (5-tert-butyl-2-methoxyphenyl)boronic acid is COc1ccc(C(C)(C)C)cc1B(O)O.
What is the InChIKey of (5-tert-butyl-2-methoxyphenyl)boronic acid?
The InChIKey is LXFOJKCQSAYVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BO3/c1-11(2,3)8-5-6-10(15-4)9(7-8)12(13)14/h5-7,13-14H,1-4H3.
What are the key properties of (5-tert-butyl-2-methoxyphenyl)boronic acid?
(5-tert-butyl-2-methoxyphenyl)boronic acid has a molecular weight of 208.07 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-2-methoxyphenyl)boronic acid is sourced from PubChem (CID 14740579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).