6-chloro-1-[2-(2-hydroxyethoxy)ethyl]indole-2,3-dione

C12H12ClNO4 — CID 61357091

IUPAC6-chloro-1-[2-(2-hydroxyethoxy)ethyl]indole-2,3-dione
SMILESO=C1C(=O)N(CCOCCO)c2cc(Cl)ccc21
InChIInChI=1S/C12H12ClNO4/c13-8-1-2-9-10(7-8)14(12(17)11(9)16)3-5-18-6-4-15/h1-2,7,15H,3-6H2
InChIKeyZKEPWMQUYXZMMJ-UHFFFAOYSA-N
MW269.68 g/mol
LogP0.88
Rot. Bonds5

About 6-chloro-1-[2-(2-hydroxyethoxy)ethyl]indole-2,3-dione

6-chloro-1-[2-(2-hydroxyethoxy)ethyl]indole-2,3-dione (PubChem CID 61357091) has the molecular formula C12H12ClNO4 and a molecular weight of 269.68 g/mol. Its IUPAC name is 6-chloro-1-[2-(2-hydroxyethoxy)ethyl]indole-2,3-dione.

Molecular Properties

Compound Name6-chloro-1-[2-(2-hydroxyethoxy)ethyl]indole-2,3-dione
PubChem CID61357091
Molecular FormulaC12H12ClNO4
Molecular Weight269.68 g/mol
Exact Mass269.05
IUPAC Name6-chloro-1-[2-(2-hydroxyethoxy)ethyl]indole-2,3-dione
SMILESO=C1C(=O)N(CCOCCO)c2cc(Cl)ccc21
InChIInChI=1S/C12H12ClNO4/c13-8-1-2-9-10(7-8)14(12(17)11(9)16)3-5-18-6-4-15/h1-2,7,15H,3-6H2
InChIKeyZKEPWMQUYXZMMJ-UHFFFAOYSA-N
XLogP0.88
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.68
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[2-(2-hydroxyethoxy)ethyl]indole-2,3-dione?
The IUPAC name of 6-chloro-1-[2-(2-hydroxyethoxy)ethyl]indole-2,3-dione (CID 61357091) is 6-chloro-1-[2-(2-hydroxyethoxy)ethyl]indole-2,3-dione.
What is the SMILES notation for 6-chloro-1-[2-(2-hydroxyethoxy)ethyl]indole-2,3-dione?
The canonical SMILES for 6-chloro-1-[2-(2-hydroxyethoxy)ethyl]indole-2,3-dione is O=C1C(=O)N(CCOCCO)c2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-1-[2-(2-hydroxyethoxy)ethyl]indole-2,3-dione?
The InChIKey is ZKEPWMQUYXZMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO4/c13-8-1-2-9-10(7-8)14(12(17)11(9)16)3-5-18-6-4-15/h1-2,7,15H,3-6H2.
What are the key properties of 6-chloro-1-[2-(2-hydroxyethoxy)ethyl]indole-2,3-dione?
6-chloro-1-[2-(2-hydroxyethoxy)ethyl]indole-2,3-dione has a molecular weight of 269.68 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[2-(2-hydroxyethoxy)ethyl]indole-2,3-dione is sourced from PubChem (CID 61357091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).