(3-boronofluoranthen-8-yl)boronic acid

C16H12B2O4 — CID 22286661

IUPAC(3-boronofluoranthen-8-yl)boronic acid
SMILESOB(O)c1ccc2c(c1)-c1cccc3c(B(O)O)ccc-2c13
InChIInChI=1S/C16H12B2O4/c19-17(20)9-4-5-10-12-6-7-15(18(21)22)13-3-1-2-11(16(12)13)14(10)8-9/h1-8,19-22H
InChIKeyROJKHSWIIWRTIC-UHFFFAOYSA-N
MW289.89 g/mol
LogP-0.15
Rot. Bonds2

About (3-boronofluoranthen-8-yl)boronic acid

(3-boronofluoranthen-8-yl)boronic acid (PubChem CID 22286661) has the molecular formula C16H12B2O4 and a molecular weight of 289.89 g/mol. Its IUPAC name is (3-boronofluoranthen-8-yl)boronic acid.

Molecular Properties

Compound Name(3-boronofluoranthen-8-yl)boronic acid
PubChem CID22286661
Molecular FormulaC16H12B2O4
Molecular Weight289.89 g/mol
Exact Mass290.09
IUPAC Name(3-boronofluoranthen-8-yl)boronic acid
SMILESOB(O)c1ccc2c(c1)-c1cccc3c(B(O)O)ccc-2c13
InChIInChI=1S/C16H12B2O4/c19-17(20)9-4-5-10-12-6-7-15(18(21)22)13-3-1-2-11(16(12)13)14(10)8-9/h1-8,19-22H
InChIKeyROJKHSWIIWRTIC-UHFFFAOYSA-N
XLogP-0.15
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.89
LogP ≤ 5-0.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-boronofluoranthen-8-yl)boronic acid?
The IUPAC name of (3-boronofluoranthen-8-yl)boronic acid (CID 22286661) is (3-boronofluoranthen-8-yl)boronic acid.
What is the SMILES notation for (3-boronofluoranthen-8-yl)boronic acid?
The canonical SMILES for (3-boronofluoranthen-8-yl)boronic acid is OB(O)c1ccc2c(c1)-c1cccc3c(B(O)O)ccc-2c13.
What is the InChIKey of (3-boronofluoranthen-8-yl)boronic acid?
The InChIKey is ROJKHSWIIWRTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12B2O4/c19-17(20)9-4-5-10-12-6-7-15(18(21)22)13-3-1-2-11(16(12)13)14(10)8-9/h1-8,19-22H.
What are the key properties of (3-boronofluoranthen-8-yl)boronic acid?
(3-boronofluoranthen-8-yl)boronic acid has a molecular weight of 289.89 g/mol, XLogP of -0.15, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-boronofluoranthen-8-yl)boronic acid is sourced from PubChem (CID 22286661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).