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

C14H9Cl2NO2 — CID 102496389

IUPAC4,7-dichloro-3-hydroxy-3-phenyl-1H-indol-2-one
SMILESO=C1Nc2c(Cl)ccc(Cl)c2C1(O)c1ccccc1
InChIInChI=1S/C14H9Cl2NO2/c15-9-6-7-10(16)12-11(9)14(19,13(18)17-12)8-4-2-1-3-5-8/h1-7,19H,(H,17,18)
InChIKeyTWIVHNZXPZOZDX-UHFFFAOYSA-N
MW294.14 g/mol
LogP3.18
Rot. Bonds1

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

4,7-dichloro-3-hydroxy-3-phenyl-1H-indol-2-one (PubChem CID 102496389) has the molecular formula C14H9Cl2NO2 and a molecular weight of 294.14 g/mol. Its IUPAC name is 4,7-dichloro-3-hydroxy-3-phenyl-1H-indol-2-one.

Molecular Properties

Compound Name4,7-dichloro-3-hydroxy-3-phenyl-1H-indol-2-one
PubChem CID102496389
Molecular FormulaC14H9Cl2NO2
Molecular Weight294.14 g/mol
Exact Mass293.00
IUPAC Name4,7-dichloro-3-hydroxy-3-phenyl-1H-indol-2-one
SMILESO=C1Nc2c(Cl)ccc(Cl)c2C1(O)c1ccccc1
InChIInChI=1S/C14H9Cl2NO2/c15-9-6-7-10(16)12-11(9)14(19,13(18)17-12)8-4-2-1-3-5-8/h1-7,19H,(H,17,18)
InChIKeyTWIVHNZXPZOZDX-UHFFFAOYSA-N
XLogP3.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.14
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-3-hydroxy-3-phenyl-1H-indol-2-one?
The IUPAC name of 4,7-dichloro-3-hydroxy-3-phenyl-1H-indol-2-one (CID 102496389) is 4,7-dichloro-3-hydroxy-3-phenyl-1H-indol-2-one.
What is the SMILES notation for 4,7-dichloro-3-hydroxy-3-phenyl-1H-indol-2-one?
The canonical SMILES for 4,7-dichloro-3-hydroxy-3-phenyl-1H-indol-2-one is O=C1Nc2c(Cl)ccc(Cl)c2C1(O)c1ccccc1.
What is the InChIKey of 4,7-dichloro-3-hydroxy-3-phenyl-1H-indol-2-one?
The InChIKey is TWIVHNZXPZOZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2NO2/c15-9-6-7-10(16)12-11(9)14(19,13(18)17-12)8-4-2-1-3-5-8/h1-7,19H,(H,17,18).
What are the key properties of 4,7-dichloro-3-hydroxy-3-phenyl-1H-indol-2-one?
4,7-dichloro-3-hydroxy-3-phenyl-1H-indol-2-one has a molecular weight of 294.14 g/mol, XLogP of 3.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-3-hydroxy-3-phenyl-1H-indol-2-one is sourced from PubChem (CID 102496389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).