5-chloro-3-hydroxy-3-(3-methoxyphenyl)-1H-indol-2-one

C15H12ClNO3 — CID 22560825

IUPAC5-chloro-3-hydroxy-3-(3-methoxyphenyl)-1H-indol-2-one
SMILESCOc1cccc(C2(O)C(=O)Nc3ccc(Cl)cc32)c1
InChIInChI=1S/C15H12ClNO3/c1-20-11-4-2-3-9(7-11)15(19)12-8-10(16)5-6-13(12)17-14(15)18/h2-8,19H,1H3,(H,17,18)
InChIKeyLFDOLTDIEIJINC-UHFFFAOYSA-N
MW289.72 g/mol
LogP2.54
Rot. Bonds2

About 5-chloro-3-hydroxy-3-(3-methoxyphenyl)-1H-indol-2-one

5-chloro-3-hydroxy-3-(3-methoxyphenyl)-1H-indol-2-one (PubChem CID 22560825) has the molecular formula C15H12ClNO3 and a molecular weight of 289.72 g/mol. Its IUPAC name is 5-chloro-3-hydroxy-3-(3-methoxyphenyl)-1H-indol-2-one.

Molecular Properties

Compound Name5-chloro-3-hydroxy-3-(3-methoxyphenyl)-1H-indol-2-one
PubChem CID22560825
Molecular FormulaC15H12ClNO3
Molecular Weight289.72 g/mol
Exact Mass289.05
IUPAC Name5-chloro-3-hydroxy-3-(3-methoxyphenyl)-1H-indol-2-one
SMILESCOc1cccc(C2(O)C(=O)Nc3ccc(Cl)cc32)c1
InChIInChI=1S/C15H12ClNO3/c1-20-11-4-2-3-9(7-11)15(19)12-8-10(16)5-6-13(12)17-14(15)18/h2-8,19H,1H3,(H,17,18)
InChIKeyLFDOLTDIEIJINC-UHFFFAOYSA-N
XLogP2.54
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-3-(5-chloro-2-methoxyphenyl)-3-hydroxy-1H-indol-2-one
CID 67428748
5-chloro-3-hydroxy-3-(2-methoxy-6-methylphenyl)-1H-indol-2-one
CID 22560921
3-(3-ethoxyphenyl)-3-hydroxy-1H-indol-2-one
CID 83036799
(3R)-3-[2-amino-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]-5-chloro-3-hydroxy-1H-indol-2-one
CID 2380906
3-(2-fluoro-5-methoxyphenyl)-3-hydroxy-1H-indol-2-one
CID 163232497
(3S)-5-chloro-3-[2-(2-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 39352069
(3S)-3-(3,4-dimethoxyphenyl)-3-hydroxy-5-methyl-1H-indol-2-one
CID 7333291
3-(4-chlorophenyl)-3-ethyl-5-methoxy-1H-indol-2-one
CID 126473327
5-chloro-3-ethyl-3-hydroxy-1H-indol-2-one
CID 159617645
5-chloro-3-(2-chloro-4-fluorophenyl)-3-hydroxy-1H-indol-2-one
CID 18753035
(3R)-3-hydroxy-3-(1H-indol-3-yl)-5-methoxy-1H-indol-2-one
CID 92733868
3-hydroxy-3-(2-hydroxy-5-methoxyphenyl)-1H-indol-2-one
CID 15857499

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-hydroxy-3-(3-methoxyphenyl)-1H-indol-2-one?
The IUPAC name of 5-chloro-3-hydroxy-3-(3-methoxyphenyl)-1H-indol-2-one (CID 22560825) is 5-chloro-3-hydroxy-3-(3-methoxyphenyl)-1H-indol-2-one.
What is the SMILES notation for 5-chloro-3-hydroxy-3-(3-methoxyphenyl)-1H-indol-2-one?
The canonical SMILES for 5-chloro-3-hydroxy-3-(3-methoxyphenyl)-1H-indol-2-one is COc1cccc(C2(O)C(=O)Nc3ccc(Cl)cc32)c1.
What is the InChIKey of 5-chloro-3-hydroxy-3-(3-methoxyphenyl)-1H-indol-2-one?
The InChIKey is LFDOLTDIEIJINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO3/c1-20-11-4-2-3-9(7-11)15(19)12-8-10(16)5-6-13(12)17-14(15)18/h2-8,19H,1H3,(H,17,18).
What are the key properties of 5-chloro-3-hydroxy-3-(3-methoxyphenyl)-1H-indol-2-one?
5-chloro-3-hydroxy-3-(3-methoxyphenyl)-1H-indol-2-one has a molecular weight of 289.72 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-hydroxy-3-(3-methoxyphenyl)-1H-indol-2-one is sourced from PubChem (CID 22560825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).