4-chloro-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-7-methyl-1H-indol-2-one

C17H14ClNO4 — CID 655686

IUPAC4-chloro-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-7-methyl-1H-indol-2-one
SMILESCc1ccc(Cl)c2c1NC(=O)C2(O)CC(=O)c1ccccc1O
InChIInChI=1S/C17H14ClNO4/c1-9-6-7-11(18)14-15(9)19-16(22)17(14,23)8-13(21)10-4-2-3-5-12(10)20/h2-7,20,23H,8H2,1H3,(H,19,22)
InChIKeyVADKSFKXEIFQKI-UHFFFAOYSA-N
MW331.75 g/mol
LogP2.77
Rot. Bonds3

About 4-chloro-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-7-methyl-1H-indol-2-one

4-chloro-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-7-methyl-1H-indol-2-one (PubChem CID 655686) has the molecular formula C17H14ClNO4 and a molecular weight of 331.75 g/mol. Its IUPAC name is 4-chloro-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-7-methyl-1H-indol-2-one.

Molecular Properties

Compound Name4-chloro-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-7-methyl-1H-indol-2-one
PubChem CID655686
Molecular FormulaC17H14ClNO4
Molecular Weight331.75 g/mol
Exact Mass331.06
IUPAC Name4-chloro-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-7-methyl-1H-indol-2-one
SMILESCc1ccc(Cl)c2c1NC(=O)C2(O)CC(=O)c1ccccc1O
InChIInChI=1S/C17H14ClNO4/c1-9-6-7-11(18)14-15(9)19-16(22)17(14,23)8-13(21)10-4-2-3-5-12(10)20/h2-7,20,23H,8H2,1H3,(H,19,22)
InChIKeyVADKSFKXEIFQKI-UHFFFAOYSA-N
XLogP2.77
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.75
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-chloro-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-7-methyl-1H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-7-methyl-1H-indol-2-one?
The IUPAC name of 4-chloro-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-7-methyl-1H-indol-2-one (CID 655686) is 4-chloro-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-7-methyl-1H-indol-2-one.
What is the SMILES notation for 4-chloro-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-7-methyl-1H-indol-2-one?
The canonical SMILES for 4-chloro-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-7-methyl-1H-indol-2-one is Cc1ccc(Cl)c2c1NC(=O)C2(O)CC(=O)c1ccccc1O.
What is the InChIKey of 4-chloro-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-7-methyl-1H-indol-2-one?
The InChIKey is VADKSFKXEIFQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO4/c1-9-6-7-11(18)14-15(9)19-16(22)17(14,23)8-13(21)10-4-2-3-5-12(10)20/h2-7,20,23H,8H2,1H3,(H,19,22).
What are the key properties of 4-chloro-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-7-methyl-1H-indol-2-one?
4-chloro-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-7-methyl-1H-indol-2-one has a molecular weight of 331.75 g/mol, XLogP of 2.77, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-7-methyl-1H-indol-2-one is sourced from PubChem (CID 655686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).