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

C18H18BrNO2 — CID 3603822

IUPAC5-bromo-1-butyl-3-hydroxy-3-phenylindol-2-one
SMILESCCCCN1C(=O)C(O)(c2ccccc2)c2cc(Br)ccc21
InChIInChI=1S/C18H18BrNO2/c1-2-3-11-20-16-10-9-14(19)12-15(16)18(22,17(20)21)13-7-5-4-6-8-13/h4-10,12,22H,2-3,11H2,1H3
InChIKeyFGIPKQMWOUMGRH-UHFFFAOYSA-N
MW360.25 g/mol
LogP3.83
Rot. Bonds4

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

5-bromo-1-butyl-3-hydroxy-3-phenylindol-2-one (PubChem CID 3603822) has the molecular formula C18H18BrNO2 and a molecular weight of 360.25 g/mol. Its IUPAC name is 5-bromo-1-butyl-3-hydroxy-3-phenylindol-2-one.

Molecular Properties

Compound Name5-bromo-1-butyl-3-hydroxy-3-phenylindol-2-one
PubChem CID3603822
Molecular FormulaC18H18BrNO2
Molecular Weight360.25 g/mol
Exact Mass359.05
IUPAC Name5-bromo-1-butyl-3-hydroxy-3-phenylindol-2-one
SMILESCCCCN1C(=O)C(O)(c2ccccc2)c2cc(Br)ccc21
InChIInChI=1S/C18H18BrNO2/c1-2-3-11-20-16-10-9-14(19)12-15(16)18(22,17(20)21)13-7-5-4-6-8-13/h4-10,12,22H,2-3,11H2,1H3
InChIKeyFGIPKQMWOUMGRH-UHFFFAOYSA-N
XLogP3.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.25
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-butyl-3-hydroxy-3-phenylindol-2-one?
The IUPAC name of 5-bromo-1-butyl-3-hydroxy-3-phenylindol-2-one (CID 3603822) is 5-bromo-1-butyl-3-hydroxy-3-phenylindol-2-one.
What is the SMILES notation for 5-bromo-1-butyl-3-hydroxy-3-phenylindol-2-one?
The canonical SMILES for 5-bromo-1-butyl-3-hydroxy-3-phenylindol-2-one is CCCCN1C(=O)C(O)(c2ccccc2)c2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1-butyl-3-hydroxy-3-phenylindol-2-one?
The InChIKey is FGIPKQMWOUMGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO2/c1-2-3-11-20-16-10-9-14(19)12-15(16)18(22,17(20)21)13-7-5-4-6-8-13/h4-10,12,22H,2-3,11H2,1H3.
What are the key properties of 5-bromo-1-butyl-3-hydroxy-3-phenylindol-2-one?
5-bromo-1-butyl-3-hydroxy-3-phenylindol-2-one has a molecular weight of 360.25 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-butyl-3-hydroxy-3-phenylindol-2-one is sourced from PubChem (CID 3603822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).