4,5-dichloro-3-ethyl-3-hydroxy-1H-indol-2-one

C10H9Cl2NO2 — CID 102496397

IUPAC4,5-dichloro-3-ethyl-3-hydroxy-1H-indol-2-one
SMILESCCC1(O)C(=O)Nc2ccc(Cl)c(Cl)c21
InChIInChI=1S/C10H9Cl2NO2/c1-2-10(15)7-6(13-9(10)14)4-3-5(11)8(7)12/h3-4,15H,2H2,1H3,(H,13,14)
InChIKeyAEFKVXVRUPDHDN-UHFFFAOYSA-N
MW246.09 g/mol
LogP2.54
Rot. Bonds1

About 4,5-dichloro-3-ethyl-3-hydroxy-1H-indol-2-one

4,5-dichloro-3-ethyl-3-hydroxy-1H-indol-2-one (PubChem CID 102496397) has the molecular formula C10H9Cl2NO2 and a molecular weight of 246.09 g/mol. Its IUPAC name is 4,5-dichloro-3-ethyl-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name4,5-dichloro-3-ethyl-3-hydroxy-1H-indol-2-one
PubChem CID102496397
Molecular FormulaC10H9Cl2NO2
Molecular Weight246.09 g/mol
Exact Mass245.00
IUPAC Name4,5-dichloro-3-ethyl-3-hydroxy-1H-indol-2-one
SMILESCCC1(O)C(=O)Nc2ccc(Cl)c(Cl)c21
InChIInChI=1S/C10H9Cl2NO2/c1-2-10(15)7-6(13-9(10)14)4-3-5(11)8(7)12/h3-4,15H,2H2,1H3,(H,13,14)
InChIKeyAEFKVXVRUPDHDN-UHFFFAOYSA-N
XLogP2.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.09
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-Chloro-3-hydroxy-3-(trifluoromethyl)indolin-2-one
CID 11836404
1-Acetyl-5-chloro-3-hydroxy-3-(trifluoromethyl)indolin-2-one
CID 49769448
5-Chloro-3-[2-(2-chlorophenyl)-2-oxoethyl]-3-hydroxy-2,3-dihydro-1H-indol-2-one
CID 46360604
1-(5-chloro-3-hydroxy-2-oxo-1H-indol-3-yl)pentane-2,4-dione
CID 145986568
5-Chloro-3-hydroxy-3-(2'-oxopropyl)indolin-2-one
CID 12674978
6-Chloro-3-hydroxy-2-oxo-3-(trifluoromethyl)indoline
CID 3462097
4-chloro-3-hydroxy-3-(2-oxopropyl)-1,3-dihydro-2H-indol-2-one
CID 52983471
5-chloro-1'-hydroxyspiro[1H-indole-3,3'-4H-2,1-benzoxaborinine]-2-one
CID 168293318
7-Chloro-3-hydroxy-3-(trifluoromethyl)indolin-2-one
CID 13626542
3-(2-(3,4-Dichlorophenyl)-2-oxoethyl)-3-hydroxy-1,3-dihydro-2H-indol-2-one
CID 360294
(3S)-4,7-dichloro-3-hydroxy-1,3-dihydro-2H-indol-2-one
CID 170458980
5-Chloro-3-hydroxy-1-methyl-2-oxo-3-trifluoromethylindole
CID 102474299

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-3-ethyl-3-hydroxy-1H-indol-2-one?
The IUPAC name of 4,5-dichloro-3-ethyl-3-hydroxy-1H-indol-2-one (CID 102496397) is 4,5-dichloro-3-ethyl-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for 4,5-dichloro-3-ethyl-3-hydroxy-1H-indol-2-one?
The canonical SMILES for 4,5-dichloro-3-ethyl-3-hydroxy-1H-indol-2-one is CCC1(O)C(=O)Nc2ccc(Cl)c(Cl)c21.
What is the InChIKey of 4,5-dichloro-3-ethyl-3-hydroxy-1H-indol-2-one?
The InChIKey is AEFKVXVRUPDHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO2/c1-2-10(15)7-6(13-9(10)14)4-3-5(11)8(7)12/h3-4,15H,2H2,1H3,(H,13,14).
What are the key properties of 4,5-dichloro-3-ethyl-3-hydroxy-1H-indol-2-one?
4,5-dichloro-3-ethyl-3-hydroxy-1H-indol-2-one has a molecular weight of 246.09 g/mol, XLogP of 2.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-3-ethyl-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 102496397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).