(6-phenylmethoxy-1H-indol-2-yl)boronic acid

C15H14BNO3 — CID 53216739

IUPAC(6-phenylmethoxy-1H-indol-2-yl)boronic acid
SMILESOB(O)c1cc2ccc(OCc3ccccc3)cc2[nH]1
InChIInChI=1S/C15H14BNO3/c18-16(19)15-8-12-6-7-13(9-14(12)17-15)20-10-11-4-2-1-3-5-11/h1-9,17-19H,10H2
InChIKeyNPFJJCROCCUTSJ-UHFFFAOYSA-N
MW267.09 g/mol
LogP1.43
Rot. Bonds4

About (6-phenylmethoxy-1H-indol-2-yl)boronic acid

(6-phenylmethoxy-1H-indol-2-yl)boronic acid (PubChem CID 53216739) has the molecular formula C15H14BNO3 and a molecular weight of 267.09 g/mol. Its IUPAC name is (6-phenylmethoxy-1H-indol-2-yl)boronic acid.

Molecular Properties

Compound Name(6-phenylmethoxy-1H-indol-2-yl)boronic acid
PubChem CID53216739
Molecular FormulaC15H14BNO3
Molecular Weight267.09 g/mol
Exact Mass267.11
IUPAC Name(6-phenylmethoxy-1H-indol-2-yl)boronic acid
SMILESOB(O)c1cc2ccc(OCc3ccccc3)cc2[nH]1
InChIInChI=1S/C15H14BNO3/c18-16(19)15-8-12-6-7-13(9-14(12)17-15)20-10-11-4-2-1-3-5-11/h1-9,17-19H,10H2
InChIKeyNPFJJCROCCUTSJ-UHFFFAOYSA-N
XLogP1.43
TPSA65.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.09
LogP ≤ 51.43
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 (6-phenylmethoxy-1H-indol-2-yl)boronic acid?
The IUPAC name of (6-phenylmethoxy-1H-indol-2-yl)boronic acid (CID 53216739) is (6-phenylmethoxy-1H-indol-2-yl)boronic acid.
What is the SMILES notation for (6-phenylmethoxy-1H-indol-2-yl)boronic acid?
The canonical SMILES for (6-phenylmethoxy-1H-indol-2-yl)boronic acid is OB(O)c1cc2ccc(OCc3ccccc3)cc2[nH]1.
What is the InChIKey of (6-phenylmethoxy-1H-indol-2-yl)boronic acid?
The InChIKey is NPFJJCROCCUTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BNO3/c18-16(19)15-8-12-6-7-13(9-14(12)17-15)20-10-11-4-2-1-3-5-11/h1-9,17-19H,10H2.
What are the key properties of (6-phenylmethoxy-1H-indol-2-yl)boronic acid?
(6-phenylmethoxy-1H-indol-2-yl)boronic acid has a molecular weight of 267.09 g/mol, XLogP of 1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-phenylmethoxy-1H-indol-2-yl)boronic acid is sourced from PubChem (CID 53216739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).