4,6-dichloro-3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-1H-indol-2-one

C14H8Cl3NO3 — CID 10132283

IUPAC4,6-dichloro-3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-1H-indol-2-one
SMILESO=C1Nc2cc(Cl)cc(Cl)c2C1(O)c1cc(Cl)ccc1O
InChIInChI=1S/C14H8Cl3NO3/c15-6-1-2-11(19)8(3-6)14(21)12-9(17)4-7(16)5-10(12)18-13(14)20/h1-5,19,21H,(H,18,20)
InChIKeyNYUYNFYXPTXKPX-UHFFFAOYSA-N
MW344.58 g/mol
LogP3.54
Rot. Bonds1

About 4,6-dichloro-3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-1H-indol-2-one

4,6-dichloro-3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-1H-indol-2-one (PubChem CID 10132283) has the molecular formula C14H8Cl3NO3 and a molecular weight of 344.58 g/mol. Its IUPAC name is 4,6-dichloro-3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name4,6-dichloro-3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-1H-indol-2-one
PubChem CID10132283
Molecular FormulaC14H8Cl3NO3
Molecular Weight344.58 g/mol
Exact Mass342.96
IUPAC Name4,6-dichloro-3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-1H-indol-2-one
SMILESO=C1Nc2cc(Cl)cc(Cl)c2C1(O)c1cc(Cl)ccc1O
InChIInChI=1S/C14H8Cl3NO3/c15-6-1-2-11(19)8(3-6)14(21)12-9(17)4-7(16)5-10(12)18-13(14)20/h1-5,19,21H,(H,18,20)
InChIKeyNYUYNFYXPTXKPX-UHFFFAOYSA-N
XLogP3.54
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.58
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-1H-indol-2-one?
The IUPAC name of 4,6-dichloro-3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-1H-indol-2-one (CID 10132283) is 4,6-dichloro-3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for 4,6-dichloro-3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-1H-indol-2-one?
The canonical SMILES for 4,6-dichloro-3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-1H-indol-2-one is O=C1Nc2cc(Cl)cc(Cl)c2C1(O)c1cc(Cl)ccc1O.
What is the InChIKey of 4,6-dichloro-3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-1H-indol-2-one?
The InChIKey is NYUYNFYXPTXKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3NO3/c15-6-1-2-11(19)8(3-6)14(21)12-9(17)4-7(16)5-10(12)18-13(14)20/h1-5,19,21H,(H,18,20).
What are the key properties of 4,6-dichloro-3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-1H-indol-2-one?
4,6-dichloro-3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-1H-indol-2-one has a molecular weight of 344.58 g/mol, XLogP of 3.54, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 10132283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).