5-bromo-1-ethyl-3-hydroxy-3-phenylindol-2-one

C16H14BrNO2 — CID 11645649

IUPAC5-bromo-1-ethyl-3-hydroxy-3-phenylindol-2-one
SMILESCCN1C(=O)C(O)(c2ccccc2)c2cc(Br)ccc21
InChIInChI=1S/C16H14BrNO2/c1-2-18-14-9-8-12(17)10-13(14)16(20,15(18)19)11-6-4-3-5-7-11/h3-10,20H,2H2,1H3
InChIKeyNHRLNELGYFKQGB-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.05
Rot. Bonds2

About 5-bromo-1-ethyl-3-hydroxy-3-phenylindol-2-one

5-bromo-1-ethyl-3-hydroxy-3-phenylindol-2-one (PubChem CID 11645649) has the molecular formula C16H14BrNO2 and a molecular weight of 332.20 g/mol. Its IUPAC name is 5-bromo-1-ethyl-3-hydroxy-3-phenylindol-2-one.

Molecular Properties

Compound Name5-bromo-1-ethyl-3-hydroxy-3-phenylindol-2-one
PubChem CID11645649
Molecular FormulaC16H14BrNO2
Molecular Weight332.20 g/mol
Exact Mass331.02
IUPAC Name5-bromo-1-ethyl-3-hydroxy-3-phenylindol-2-one
SMILESCCN1C(=O)C(O)(c2ccccc2)c2cc(Br)ccc21
InChIInChI=1S/C16H14BrNO2/c1-2-18-14-9-8-12(17)10-13(14)16(20,15(18)19)11-6-4-3-5-7-11/h3-10,20H,2H2,1H3
InChIKeyNHRLNELGYFKQGB-UHFFFAOYSA-N
XLogP3.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-ethyl-3-hydroxy-3-phenylindol-2-one?
The IUPAC name of 5-bromo-1-ethyl-3-hydroxy-3-phenylindol-2-one (CID 11645649) is 5-bromo-1-ethyl-3-hydroxy-3-phenylindol-2-one.
What is the SMILES notation for 5-bromo-1-ethyl-3-hydroxy-3-phenylindol-2-one?
The canonical SMILES for 5-bromo-1-ethyl-3-hydroxy-3-phenylindol-2-one is CCN1C(=O)C(O)(c2ccccc2)c2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1-ethyl-3-hydroxy-3-phenylindol-2-one?
The InChIKey is NHRLNELGYFKQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO2/c1-2-18-14-9-8-12(17)10-13(14)16(20,15(18)19)11-6-4-3-5-7-11/h3-10,20H,2H2,1H3.
What are the key properties of 5-bromo-1-ethyl-3-hydroxy-3-phenylindol-2-one?
5-bromo-1-ethyl-3-hydroxy-3-phenylindol-2-one has a molecular weight of 332.20 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-ethyl-3-hydroxy-3-phenylindol-2-one is sourced from PubChem (CID 11645649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).