[2-(9H-fluoren-1-yl)phenoxy]boronic acid

C19H15BO3 — CID 69456186

IUPAC[2-(9H-fluoren-1-yl)phenoxy]boronic acid
SMILESOB(O)Oc1ccccc1-c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C19H15BO3/c21-20(22)23-19-11-4-3-8-17(19)16-10-5-9-15-14-7-2-1-6-13(14)12-18(15)16/h1-11,21-22H,12H2
InChIKeyHKPFITGCPDDMCC-UHFFFAOYSA-N
MW302.14 g/mol
LogP3.27
Rot. Bonds3

About [2-(9H-fluoren-1-yl)phenoxy]boronic acid

[2-(9H-fluoren-1-yl)phenoxy]boronic acid (PubChem CID 69456186) has the molecular formula C19H15BO3 and a molecular weight of 302.14 g/mol. Its IUPAC name is [2-(9H-fluoren-1-yl)phenoxy]boronic acid.

Molecular Properties

Compound Name[2-(9H-fluoren-1-yl)phenoxy]boronic acid
PubChem CID69456186
Molecular FormulaC19H15BO3
Molecular Weight302.14 g/mol
Exact Mass302.11
IUPAC Name[2-(9H-fluoren-1-yl)phenoxy]boronic acid
SMILESOB(O)Oc1ccccc1-c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C19H15BO3/c21-20(22)23-19-11-4-3-8-17(19)16-10-5-9-15-14-7-2-1-6-13(14)12-18(15)16/h1-11,21-22H,12H2
InChIKeyHKPFITGCPDDMCC-UHFFFAOYSA-N
XLogP3.27
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.14
LogP ≤ 53.27
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 [2-(9H-fluoren-1-yl)phenoxy]boronic acid?
The IUPAC name of [2-(9H-fluoren-1-yl)phenoxy]boronic acid (CID 69456186) is [2-(9H-fluoren-1-yl)phenoxy]boronic acid.
What is the SMILES notation for [2-(9H-fluoren-1-yl)phenoxy]boronic acid?
The canonical SMILES for [2-(9H-fluoren-1-yl)phenoxy]boronic acid is OB(O)Oc1ccccc1-c1cccc2c1Cc1ccccc1-2.
What is the InChIKey of [2-(9H-fluoren-1-yl)phenoxy]boronic acid?
The InChIKey is HKPFITGCPDDMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BO3/c21-20(22)23-19-11-4-3-8-17(19)16-10-5-9-15-14-7-2-1-6-13(14)12-18(15)16/h1-11,21-22H,12H2.
What are the key properties of [2-(9H-fluoren-1-yl)phenoxy]boronic acid?
[2-(9H-fluoren-1-yl)phenoxy]boronic acid has a molecular weight of 302.14 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(9H-fluoren-1-yl)phenoxy]boronic acid is sourced from PubChem (CID 69456186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).