5-bromo-3-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methyl]-1,3-dihydroindol-2-one

C17H15Br2NO3 — CID 43912281

IUPAC5-bromo-3-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methyl]-1,3-dihydroindol-2-one
SMILESCCOc1cc(Br)cc(CC2C(=O)Nc3ccc(Br)cc32)c1O
InChIInChI=1S/C17H15Br2NO3/c1-2-23-15-8-11(19)5-9(16(15)21)6-13-12-7-10(18)3-4-14(12)20-17(13)22/h3-5,7-8,13,21H,2,6H2,1H3,(H,20,22)
InChIKeyQONWRQRHCWMOMN-UHFFFAOYSA-N
MW441.12 g/mol
LogP4.59
Rot. Bonds4

About 5-bromo-3-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methyl]-1,3-dihydroindol-2-one

5-bromo-3-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methyl]-1,3-dihydroindol-2-one (PubChem CID 43912281) has the molecular formula C17H15Br2NO3 and a molecular weight of 441.12 g/mol. Its IUPAC name is 5-bromo-3-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-3-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methyl]-1,3-dihydroindol-2-one
PubChem CID43912281
Molecular FormulaC17H15Br2NO3
Molecular Weight441.12 g/mol
Exact Mass438.94
IUPAC Name5-bromo-3-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methyl]-1,3-dihydroindol-2-one
SMILESCCOc1cc(Br)cc(CC2C(=O)Nc3ccc(Br)cc32)c1O
InChIInChI=1S/C17H15Br2NO3/c1-2-23-15-8-11(19)5-9(16(15)21)6-13-12-7-10(18)3-4-14(12)20-17(13)22/h3-5,7-8,13,21H,2,6H2,1H3,(H,20,22)
InChIKeyQONWRQRHCWMOMN-UHFFFAOYSA-N
XLogP4.59
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.12
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-3-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methyl]-1,3-dihydroindol-2-one (CID 43912281) is 5-bromo-3-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-3-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-3-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methyl]-1,3-dihydroindol-2-one is CCOc1cc(Br)cc(CC2C(=O)Nc3ccc(Br)cc32)c1O.
What is the InChIKey of 5-bromo-3-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methyl]-1,3-dihydroindol-2-one?
The InChIKey is QONWRQRHCWMOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Br2NO3/c1-2-23-15-8-11(19)5-9(16(15)21)6-13-12-7-10(18)3-4-14(12)20-17(13)22/h3-5,7-8,13,21H,2,6H2,1H3,(H,20,22).
What are the key properties of 5-bromo-3-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methyl]-1,3-dihydroindol-2-one?
5-bromo-3-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methyl]-1,3-dihydroindol-2-one has a molecular weight of 441.12 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43912281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).