[3-(5-methylfuran-2-yl)phenyl]boronic acid

C11H11BO3 — CID 90487961

IUPAC[3-(5-methylfuran-2-yl)phenyl]boronic acid
SMILESCc1ccc(-c2cccc(B(O)O)c2)o1
InChIInChI=1S/C11H11BO3/c1-8-5-6-11(15-8)9-3-2-4-10(7-9)12(13)14/h2-7,13-14H,1H3
InChIKeyOVCTVRAVVHRKBE-UHFFFAOYSA-N
MW202.02 g/mol
LogP0.93
Rot. Bonds2

About [3-(5-methylfuran-2-yl)phenyl]boronic acid

[3-(5-methylfuran-2-yl)phenyl]boronic acid (PubChem CID 90487961) has the molecular formula C11H11BO3 and a molecular weight of 202.02 g/mol. Its IUPAC name is [3-(5-methylfuran-2-yl)phenyl]boronic acid.

Molecular Properties

Compound Name[3-(5-methylfuran-2-yl)phenyl]boronic acid
PubChem CID90487961
Molecular FormulaC11H11BO3
Molecular Weight202.02 g/mol
Exact Mass202.08
IUPAC Name[3-(5-methylfuran-2-yl)phenyl]boronic acid
SMILESCc1ccc(-c2cccc(B(O)O)c2)o1
InChIInChI=1S/C11H11BO3/c1-8-5-6-11(15-8)9-3-2-4-10(7-9)12(13)14/h2-7,13-14H,1H3
InChIKeyOVCTVRAVVHRKBE-UHFFFAOYSA-N
XLogP0.93
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.02
LogP ≤ 50.93
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 [3-(5-methylfuran-2-yl)phenyl]boronic acid?
The IUPAC name of [3-(5-methylfuran-2-yl)phenyl]boronic acid (CID 90487961) is [3-(5-methylfuran-2-yl)phenyl]boronic acid.
What is the SMILES notation for [3-(5-methylfuran-2-yl)phenyl]boronic acid?
The canonical SMILES for [3-(5-methylfuran-2-yl)phenyl]boronic acid is Cc1ccc(-c2cccc(B(O)O)c2)o1.
What is the InChIKey of [3-(5-methylfuran-2-yl)phenyl]boronic acid?
The InChIKey is OVCTVRAVVHRKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BO3/c1-8-5-6-11(15-8)9-3-2-4-10(7-9)12(13)14/h2-7,13-14H,1H3.
What are the key properties of [3-(5-methylfuran-2-yl)phenyl]boronic acid?
[3-(5-methylfuran-2-yl)phenyl]boronic acid has a molecular weight of 202.02 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-methylfuran-2-yl)phenyl]boronic acid is sourced from PubChem (CID 90487961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).