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

C17H14ClNO4 — CID 3150809

IUPAC5-chloro-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one
SMILESCOc1ccccc1C(=O)CC1(O)C(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C17H14ClNO4/c1-23-15-5-3-2-4-11(15)14(20)9-17(22)12-8-10(18)6-7-13(12)19-16(17)21/h2-8,22H,9H2,1H3,(H,19,21)
InChIKeyANJGOZONZRWMMP-UHFFFAOYSA-N
MW331.76 g/mol
LogP2.76
Rot. Bonds4

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

5-chloro-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one (PubChem CID 3150809) has the molecular formula C17H14ClNO4 and a molecular weight of 331.76 g/mol. Its IUPAC name is 5-chloro-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one.

Molecular Properties

Compound Name5-chloro-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one
PubChem CID3150809
Molecular FormulaC17H14ClNO4
Molecular Weight331.76 g/mol
Exact Mass331.06
IUPAC Name5-chloro-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one
SMILESCOc1ccccc1C(=O)CC1(O)C(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C17H14ClNO4/c1-23-15-5-3-2-4-11(15)14(20)9-17(22)12-8-10(18)6-7-13(12)19-16(17)21/h2-8,22H,9H2,1H3,(H,19,21)
InChIKeyANJGOZONZRWMMP-UHFFFAOYSA-N
XLogP2.76
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one?
The IUPAC name of 5-chloro-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one (CID 3150809) is 5-chloro-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one.
What is the SMILES notation for 5-chloro-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one?
The canonical SMILES for 5-chloro-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one is COc1ccccc1C(=O)CC1(O)C(=O)Nc2ccc(Cl)cc21.
What is the InChIKey of 5-chloro-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one?
The InChIKey is ANJGOZONZRWMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO4/c1-23-15-5-3-2-4-11(15)14(20)9-17(22)12-8-10(18)6-7-13(12)19-16(17)21/h2-8,22H,9H2,1H3,(H,19,21).
What are the key properties of 5-chloro-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one?
5-chloro-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one has a molecular weight of 331.76 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one is sourced from PubChem (CID 3150809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).