1-[2-(2,3-dichlorophenoxy)ethyl]indole-2,3-dione

C16H11Cl2NO3 — CID 18802238

IUPAC1-[2-(2,3-dichlorophenoxy)ethyl]indole-2,3-dione
SMILESO=C1C(=O)N(CCOc2cccc(Cl)c2Cl)c2ccccc21
InChIInChI=1S/C16H11Cl2NO3/c17-11-5-3-7-13(14(11)18)22-9-8-19-12-6-2-1-4-10(12)15(20)16(19)21/h1-7H,8-9H2
InChIKeyLBDVXRPHECKDSD-UHFFFAOYSA-N
MW336.17 g/mol
LogP3.60
Rot. Bonds4

About 1-[2-(2,3-dichlorophenoxy)ethyl]indole-2,3-dione

1-[2-(2,3-dichlorophenoxy)ethyl]indole-2,3-dione (PubChem CID 18802238) has the molecular formula C16H11Cl2NO3 and a molecular weight of 336.17 g/mol. Its IUPAC name is 1-[2-(2,3-dichlorophenoxy)ethyl]indole-2,3-dione.

Molecular Properties

Compound Name1-[2-(2,3-dichlorophenoxy)ethyl]indole-2,3-dione
PubChem CID18802238
Molecular FormulaC16H11Cl2NO3
Molecular Weight336.17 g/mol
Exact Mass335.01
IUPAC Name1-[2-(2,3-dichlorophenoxy)ethyl]indole-2,3-dione
SMILESO=C1C(=O)N(CCOc2cccc(Cl)c2Cl)c2ccccc21
InChIInChI=1S/C16H11Cl2NO3/c17-11-5-3-7-13(14(11)18)22-9-8-19-12-6-2-1-4-10(12)15(20)16(19)21/h1-7H,8-9H2
InChIKeyLBDVXRPHECKDSD-UHFFFAOYSA-N
XLogP3.60
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.17
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2,3-dimethylphenoxy)ethyl]indole-2,3-dione
CID 18802236
1-[4-(2,3-dimethylphenoxy)butyl]indole-2,3-dione
CID 18802266
1-(2-propoxyethyl)indole-2,3-dione
CID 106453634
7-chloro-1-[2-(2,3-dimethylphenoxy)ethyl]indole-2,3-dione
CID 18803529
1-[2-(4-tert-butylphenoxy)ethyl]indole-2,3-dione
CID 3157902
1-[2-(2-chlorophenoxy)ethyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 4573481
1-(5-chloropentyl)indole-2,3-dione
CID 43348362
7-bromo-1-[4-(2,3-dichlorophenoxy)butyl]-5-methylindole-2,3-dione
CID 18802654
7-chloro-1-(2-naphthalen-2-yloxyethyl)indole-2,3-dione
CID 18803525
1-[2-(2,5-dichlorophenoxy)ethyl]-7-methylindole-2,3-dione
CID 18803273
1-[3-(2-chlorophenoxy)propyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 4288875
5-chloro-1-[3-(2,4-dichlorophenoxy)propyl]indole-2,3-dione
CID 9196252

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dichlorophenoxy)ethyl]indole-2,3-dione?
The IUPAC name of 1-[2-(2,3-dichlorophenoxy)ethyl]indole-2,3-dione (CID 18802238) is 1-[2-(2,3-dichlorophenoxy)ethyl]indole-2,3-dione.
What is the SMILES notation for 1-[2-(2,3-dichlorophenoxy)ethyl]indole-2,3-dione?
The canonical SMILES for 1-[2-(2,3-dichlorophenoxy)ethyl]indole-2,3-dione is O=C1C(=O)N(CCOc2cccc(Cl)c2Cl)c2ccccc21.
What is the InChIKey of 1-[2-(2,3-dichlorophenoxy)ethyl]indole-2,3-dione?
The InChIKey is LBDVXRPHECKDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO3/c17-11-5-3-7-13(14(11)18)22-9-8-19-12-6-2-1-4-10(12)15(20)16(19)21/h1-7H,8-9H2.
What are the key properties of 1-[2-(2,3-dichlorophenoxy)ethyl]indole-2,3-dione?
1-[2-(2,3-dichlorophenoxy)ethyl]indole-2,3-dione has a molecular weight of 336.17 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dichlorophenoxy)ethyl]indole-2,3-dione is sourced from PubChem (CID 18802238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).