6-bromo-3-hydroxy-3-(2-hydroxy-4-propan-2-ylphenyl)-1H-indol-2-one

C17H16BrNO3 — CID 3813972

IUPAC6-bromo-3-hydroxy-3-(2-hydroxy-4-propan-2-ylphenyl)-1H-indol-2-one
SMILESCC(C)c1ccc(C2(O)C(=O)Nc3cc(Br)ccc32)c(O)c1
InChIInChI=1S/C17H16BrNO3/c1-9(2)10-3-5-13(15(20)7-10)17(22)12-6-4-11(18)8-14(12)19-16(17)21/h3-9,20,22H,1-2H3,(H,19,21)
InChIKeyFNTFPLBLMXOHAI-UHFFFAOYSA-N
MW362.22 g/mol
LogP3.47
Rot. Bonds2

About 6-bromo-3-hydroxy-3-(2-hydroxy-4-propan-2-ylphenyl)-1H-indol-2-one

6-bromo-3-hydroxy-3-(2-hydroxy-4-propan-2-ylphenyl)-1H-indol-2-one (PubChem CID 3813972) has the molecular formula C17H16BrNO3 and a molecular weight of 362.22 g/mol. Its IUPAC name is 6-bromo-3-hydroxy-3-(2-hydroxy-4-propan-2-ylphenyl)-1H-indol-2-one.

Molecular Properties

Compound Name6-bromo-3-hydroxy-3-(2-hydroxy-4-propan-2-ylphenyl)-1H-indol-2-one
PubChem CID3813972
Molecular FormulaC17H16BrNO3
Molecular Weight362.22 g/mol
Exact Mass361.03
IUPAC Name6-bromo-3-hydroxy-3-(2-hydroxy-4-propan-2-ylphenyl)-1H-indol-2-one
SMILESCC(C)c1ccc(C2(O)C(=O)Nc3cc(Br)ccc32)c(O)c1
InChIInChI=1S/C17H16BrNO3/c1-9(2)10-3-5-13(15(20)7-10)17(22)12-6-4-11(18)8-14(12)19-16(17)21/h3-9,20,22H,1-2H3,(H,19,21)
InChIKeyFNTFPLBLMXOHAI-UHFFFAOYSA-N
XLogP3.47
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-hydroxy-3-(2-hydroxy-4-propan-2-ylphenyl)-1H-indol-2-one?
The IUPAC name of 6-bromo-3-hydroxy-3-(2-hydroxy-4-propan-2-ylphenyl)-1H-indol-2-one (CID 3813972) is 6-bromo-3-hydroxy-3-(2-hydroxy-4-propan-2-ylphenyl)-1H-indol-2-one.
What is the SMILES notation for 6-bromo-3-hydroxy-3-(2-hydroxy-4-propan-2-ylphenyl)-1H-indol-2-one?
The canonical SMILES for 6-bromo-3-hydroxy-3-(2-hydroxy-4-propan-2-ylphenyl)-1H-indol-2-one is CC(C)c1ccc(C2(O)C(=O)Nc3cc(Br)ccc32)c(O)c1.
What is the InChIKey of 6-bromo-3-hydroxy-3-(2-hydroxy-4-propan-2-ylphenyl)-1H-indol-2-one?
The InChIKey is FNTFPLBLMXOHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO3/c1-9(2)10-3-5-13(15(20)7-10)17(22)12-6-4-11(18)8-14(12)19-16(17)21/h3-9,20,22H,1-2H3,(H,19,21).
What are the key properties of 6-bromo-3-hydroxy-3-(2-hydroxy-4-propan-2-ylphenyl)-1H-indol-2-one?
6-bromo-3-hydroxy-3-(2-hydroxy-4-propan-2-ylphenyl)-1H-indol-2-one has a molecular weight of 362.22 g/mol, XLogP of 3.47, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-hydroxy-3-(2-hydroxy-4-propan-2-ylphenyl)-1H-indol-2-one is sourced from PubChem (CID 3813972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).