3-(1,3-benzodioxol-4-yl)-4-chloro-3-hydroxy-1H-indol-2-one

C15H10ClNO4 — CID 67429107

IUPAC3-(1,3-benzodioxol-4-yl)-4-chloro-3-hydroxy-1H-indol-2-one
SMILESO=C1Nc2cccc(Cl)c2C1(O)c1cccc2c1OCO2
InChIInChI=1S/C15H10ClNO4/c16-9-4-2-5-10-12(9)15(19,14(18)17-10)8-3-1-6-11-13(8)21-7-20-11/h1-6,19H,7H2,(H,17,18)
InChIKeyZJOJLZOCKDRPOR-UHFFFAOYSA-N
MW303.70 g/mol
LogP2.26
Rot. Bonds1

About 3-(1,3-benzodioxol-4-yl)-4-chloro-3-hydroxy-1H-indol-2-one

3-(1,3-benzodioxol-4-yl)-4-chloro-3-hydroxy-1H-indol-2-one (PubChem CID 67429107) has the molecular formula C15H10ClNO4 and a molecular weight of 303.70 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-4-yl)-4-chloro-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name3-(1,3-benzodioxol-4-yl)-4-chloro-3-hydroxy-1H-indol-2-one
PubChem CID67429107
Molecular FormulaC15H10ClNO4
Molecular Weight303.70 g/mol
Exact Mass303.03
IUPAC Name3-(1,3-benzodioxol-4-yl)-4-chloro-3-hydroxy-1H-indol-2-one
SMILESO=C1Nc2cccc(Cl)c2C1(O)c1cccc2c1OCO2
InChIInChI=1S/C15H10ClNO4/c16-9-4-2-5-10-12(9)15(19,14(18)17-10)8-3-1-6-11-13(8)21-7-20-11/h1-6,19H,7H2,(H,17,18)
InChIKeyZJOJLZOCKDRPOR-UHFFFAOYSA-N
XLogP2.26
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.70
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-4-yl)-4-chloro-3-hydroxy-1H-indol-2-one?
The IUPAC name of 3-(1,3-benzodioxol-4-yl)-4-chloro-3-hydroxy-1H-indol-2-one (CID 67429107) is 3-(1,3-benzodioxol-4-yl)-4-chloro-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for 3-(1,3-benzodioxol-4-yl)-4-chloro-3-hydroxy-1H-indol-2-one?
The canonical SMILES for 3-(1,3-benzodioxol-4-yl)-4-chloro-3-hydroxy-1H-indol-2-one is O=C1Nc2cccc(Cl)c2C1(O)c1cccc2c1OCO2.
What is the InChIKey of 3-(1,3-benzodioxol-4-yl)-4-chloro-3-hydroxy-1H-indol-2-one?
The InChIKey is ZJOJLZOCKDRPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO4/c16-9-4-2-5-10-12(9)15(19,14(18)17-10)8-3-1-6-11-13(8)21-7-20-11/h1-6,19H,7H2,(H,17,18).
What are the key properties of 3-(1,3-benzodioxol-4-yl)-4-chloro-3-hydroxy-1H-indol-2-one?
3-(1,3-benzodioxol-4-yl)-4-chloro-3-hydroxy-1H-indol-2-one has a molecular weight of 303.70 g/mol, XLogP of 2.26, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-4-yl)-4-chloro-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 67429107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).