[3-(2-hydroxy-1H-inden-1-yl)phenyl]boronic acid

C15H13BO3 — CID 150369202

IUPAC[3-(2-hydroxy-1H-inden-1-yl)phenyl]boronic acid
SMILESOB(O)c1cccc(C2C(O)=Cc3ccccc32)c1
InChIInChI=1S/C15H13BO3/c17-14-9-10-4-1-2-7-13(10)15(14)11-5-3-6-12(8-11)16(18)19/h1-9,15,17-19H
InChIKeyGXJDKFYSRZNNBP-UHFFFAOYSA-N
MW252.08 g/mol
LogP1.41
Rot. Bonds2

About [3-(2-hydroxy-1H-inden-1-yl)phenyl]boronic acid

[3-(2-hydroxy-1H-inden-1-yl)phenyl]boronic acid (PubChem CID 150369202) has the molecular formula C15H13BO3 and a molecular weight of 252.08 g/mol. Its IUPAC name is [3-(2-hydroxy-1H-inden-1-yl)phenyl]boronic acid.

Molecular Properties

Compound Name[3-(2-hydroxy-1H-inden-1-yl)phenyl]boronic acid
PubChem CID150369202
Molecular FormulaC15H13BO3
Molecular Weight252.08 g/mol
Exact Mass252.10
IUPAC Name[3-(2-hydroxy-1H-inden-1-yl)phenyl]boronic acid
SMILESOB(O)c1cccc(C2C(O)=Cc3ccccc32)c1
InChIInChI=1S/C15H13BO3/c17-14-9-10-4-1-2-7-13(10)15(14)11-5-3-6-12(8-11)16(18)19/h1-9,15,17-19H
InChIKeyGXJDKFYSRZNNBP-UHFFFAOYSA-N
XLogP1.41
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.08
LogP ≤ 51.41
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 [3-(2-hydroxy-1H-inden-1-yl)phenyl]boronic acid?
The IUPAC name of [3-(2-hydroxy-1H-inden-1-yl)phenyl]boronic acid (CID 150369202) is [3-(2-hydroxy-1H-inden-1-yl)phenyl]boronic acid.
What is the SMILES notation for [3-(2-hydroxy-1H-inden-1-yl)phenyl]boronic acid?
The canonical SMILES for [3-(2-hydroxy-1H-inden-1-yl)phenyl]boronic acid is OB(O)c1cccc(C2C(O)=Cc3ccccc32)c1.
What is the InChIKey of [3-(2-hydroxy-1H-inden-1-yl)phenyl]boronic acid?
The InChIKey is GXJDKFYSRZNNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BO3/c17-14-9-10-4-1-2-7-13(10)15(14)11-5-3-6-12(8-11)16(18)19/h1-9,15,17-19H.
What are the key properties of [3-(2-hydroxy-1H-inden-1-yl)phenyl]boronic acid?
[3-(2-hydroxy-1H-inden-1-yl)phenyl]boronic acid has a molecular weight of 252.08 g/mol, XLogP of 1.41, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxy-1H-inden-1-yl)phenyl]boronic acid is sourced from PubChem (CID 150369202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).