4,7-dichloro-3-hydroxy-3-phenacyl-1H-indol-2-one

C16H11Cl2NO3 — CID 59138375

IUPAC4,7-dichloro-3-hydroxy-3-phenacyl-1H-indol-2-one
SMILESO=C(CC1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccccc1
InChIInChI=1S/C16H11Cl2NO3/c17-10-6-7-11(18)14-13(10)16(22,15(21)19-14)8-12(20)9-4-2-1-3-5-9/h1-7,22H,8H2,(H,19,21)
InChIKeyRSTHFILAIJHDSK-UHFFFAOYSA-N
MW336.17 g/mol
LogP3.41
Rot. Bonds3

About 4,7-dichloro-3-hydroxy-3-phenacyl-1H-indol-2-one

4,7-dichloro-3-hydroxy-3-phenacyl-1H-indol-2-one (PubChem CID 59138375) has the molecular formula C16H11Cl2NO3 and a molecular weight of 336.17 g/mol. Its IUPAC name is 4,7-dichloro-3-hydroxy-3-phenacyl-1H-indol-2-one.

Molecular Properties

Compound Name4,7-dichloro-3-hydroxy-3-phenacyl-1H-indol-2-one
PubChem CID59138375
Molecular FormulaC16H11Cl2NO3
Molecular Weight336.17 g/mol
Exact Mass335.01
IUPAC Name4,7-dichloro-3-hydroxy-3-phenacyl-1H-indol-2-one
SMILESO=C(CC1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccccc1
InChIInChI=1S/C16H11Cl2NO3/c17-10-6-7-11(18)14-13(10)16(22,15(21)19-14)8-12(20)9-4-2-1-3-5-9/h1-7,22H,8H2,(H,19,21)
InChIKeyRSTHFILAIJHDSK-UHFFFAOYSA-N
XLogP3.41
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.17
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-3-hydroxy-3-phenacyl-1H-indol-2-one?
The IUPAC name of 4,7-dichloro-3-hydroxy-3-phenacyl-1H-indol-2-one (CID 59138375) is 4,7-dichloro-3-hydroxy-3-phenacyl-1H-indol-2-one.
What is the SMILES notation for 4,7-dichloro-3-hydroxy-3-phenacyl-1H-indol-2-one?
The canonical SMILES for 4,7-dichloro-3-hydroxy-3-phenacyl-1H-indol-2-one is O=C(CC1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccccc1.
What is the InChIKey of 4,7-dichloro-3-hydroxy-3-phenacyl-1H-indol-2-one?
The InChIKey is RSTHFILAIJHDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO3/c17-10-6-7-11(18)14-13(10)16(22,15(21)19-14)8-12(20)9-4-2-1-3-5-9/h1-7,22H,8H2,(H,19,21).
What are the key properties of 4,7-dichloro-3-hydroxy-3-phenacyl-1H-indol-2-one?
4,7-dichloro-3-hydroxy-3-phenacyl-1H-indol-2-one has a molecular weight of 336.17 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-3-hydroxy-3-phenacyl-1H-indol-2-one is sourced from PubChem (CID 59138375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).