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

C14H13BO3 — CID 54251333

IUPAC[1-(hydroxymethyl)-9H-fluoren-9-yl]boronic acid
SMILESOCc1cccc2c1C(B(O)O)c1ccccc1-2
InChIInChI=1S/C14H13BO3/c16-8-9-4-3-7-11-10-5-1-2-6-12(10)14(13(9)11)15(17)18/h1-7,14,16-18H,8H2
InChIKeyQWYUDXJTQSIKCK-UHFFFAOYSA-N
MW240.07 g/mol
LogP1.30
Rot. Bonds2

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

[1-(hydroxymethyl)-9H-fluoren-9-yl]boronic acid (PubChem CID 54251333) has the molecular formula C14H13BO3 and a molecular weight of 240.07 g/mol. Its IUPAC name is [1-(hydroxymethyl)-9H-fluoren-9-yl]boronic acid.

Molecular Properties

Compound Name[1-(hydroxymethyl)-9H-fluoren-9-yl]boronic acid
PubChem CID54251333
Molecular FormulaC14H13BO3
Molecular Weight240.07 g/mol
Exact Mass240.10
IUPAC Name[1-(hydroxymethyl)-9H-fluoren-9-yl]boronic acid
SMILESOCc1cccc2c1C(B(O)O)c1ccccc1-2
InChIInChI=1S/C14H13BO3/c16-8-9-4-3-7-11-10-5-1-2-6-12(10)14(13(9)11)15(17)18/h1-7,14,16-18H,8H2
InChIKeyQWYUDXJTQSIKCK-UHFFFAOYSA-N
XLogP1.30
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.07
LogP ≤ 51.30
H-Bond Donors ≤ 53
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 [1-(hydroxymethyl)-9H-fluoren-9-yl]boronic acid?
The IUPAC name of [1-(hydroxymethyl)-9H-fluoren-9-yl]boronic acid (CID 54251333) is [1-(hydroxymethyl)-9H-fluoren-9-yl]boronic acid.
What is the SMILES notation for [1-(hydroxymethyl)-9H-fluoren-9-yl]boronic acid?
The canonical SMILES for [1-(hydroxymethyl)-9H-fluoren-9-yl]boronic acid is OCc1cccc2c1C(B(O)O)c1ccccc1-2.
What is the InChIKey of [1-(hydroxymethyl)-9H-fluoren-9-yl]boronic acid?
The InChIKey is QWYUDXJTQSIKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BO3/c16-8-9-4-3-7-11-10-5-1-2-6-12(10)14(13(9)11)15(17)18/h1-7,14,16-18H,8H2.
What are the key properties of [1-(hydroxymethyl)-9H-fluoren-9-yl]boronic acid?
[1-(hydroxymethyl)-9H-fluoren-9-yl]boronic acid has a molecular weight of 240.07 g/mol, XLogP of 1.30, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(hydroxymethyl)-9H-fluoren-9-yl]boronic acid is sourced from PubChem (CID 54251333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).