(1-methyl-9H-fluoren-9-yl)boronic acid

C14H13BO2 — CID 54300032

IUPAC(1-methyl-9H-fluoren-9-yl)boronic acid
SMILESCc1cccc2c1C(B(O)O)c1ccccc1-2
InChIInChI=1S/C14H13BO2/c1-9-5-4-8-11-10-6-2-3-7-12(10)14(13(9)11)15(16)17/h2-8,14,16-17H,1H3
InChIKeySDNRLQYOQDERLE-UHFFFAOYSA-N
MW224.07 g/mol
LogP2.12
Rot. Bonds1

About (1-methyl-9H-fluoren-9-yl)boronic acid

(1-methyl-9H-fluoren-9-yl)boronic acid (PubChem CID 54300032) has the molecular formula C14H13BO2 and a molecular weight of 224.07 g/mol. Its IUPAC name is (1-methyl-9H-fluoren-9-yl)boronic acid.

Molecular Properties

Compound Name(1-methyl-9H-fluoren-9-yl)boronic acid
PubChem CID54300032
Molecular FormulaC14H13BO2
Molecular Weight224.07 g/mol
Exact Mass224.10
IUPAC Name(1-methyl-9H-fluoren-9-yl)boronic acid
SMILESCc1cccc2c1C(B(O)O)c1ccccc1-2
InChIInChI=1S/C14H13BO2/c1-9-5-4-8-11-10-6-2-3-7-12(10)14(13(9)11)15(16)17/h2-8,14,16-17H,1H3
InChIKeySDNRLQYOQDERLE-UHFFFAOYSA-N
XLogP2.12
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.07
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Fluorene
CID 6853
Acenaphthene
CID 6734
1,1'-Biphenyl-4-yl-boronic acid
CID 151253
(3-Phenylphenyl)boronic acid
CID 2734315
9-Methylfluorene
CID 17299
Acenaphthene-d10
CID 177559
1-Methylfluorene
CID 15604
Biphenyl-2-boronic acid
CID 4589187
2-Methylfluorene
CID 15026
9,9-Dimethylfluorene
CID 78325
2-Ethyl-9H-fluorene
CID 274939
1,9-Dimethylfluorene
CID 28227

Frequently Asked Questions

What is the IUPAC name of (1-methyl-9H-fluoren-9-yl)boronic acid?
The IUPAC name of (1-methyl-9H-fluoren-9-yl)boronic acid (CID 54300032) is (1-methyl-9H-fluoren-9-yl)boronic acid.
What is the SMILES notation for (1-methyl-9H-fluoren-9-yl)boronic acid?
The canonical SMILES for (1-methyl-9H-fluoren-9-yl)boronic acid is Cc1cccc2c1C(B(O)O)c1ccccc1-2.
What is the InChIKey of (1-methyl-9H-fluoren-9-yl)boronic acid?
The InChIKey is SDNRLQYOQDERLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BO2/c1-9-5-4-8-11-10-6-2-3-7-12(10)14(13(9)11)15(16)17/h2-8,14,16-17H,1H3.
What are the key properties of (1-methyl-9H-fluoren-9-yl)boronic acid?
(1-methyl-9H-fluoren-9-yl)boronic acid has a molecular weight of 224.07 g/mol, XLogP of 2.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-9H-fluoren-9-yl)boronic acid is sourced from PubChem (CID 54300032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).