5-chloro-3-hydroxy-3-(2-methoxy-6-methylphenyl)-1H-indol-2-one

C16H14ClNO3 — CID 22560921

IUPAC5-chloro-3-hydroxy-3-(2-methoxy-6-methylphenyl)-1H-indol-2-one
SMILESCOc1cccc(C)c1C1(O)C(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C16H14ClNO3/c1-9-4-3-5-13(21-2)14(9)16(20)11-8-10(17)6-7-12(11)18-15(16)19/h3-8,20H,1-2H3,(H,18,19)
InChIKeySZXBSLOMYNFWPU-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.85
Rot. Bonds2

About 5-chloro-3-hydroxy-3-(2-methoxy-6-methylphenyl)-1H-indol-2-one

5-chloro-3-hydroxy-3-(2-methoxy-6-methylphenyl)-1H-indol-2-one (PubChem CID 22560921) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is 5-chloro-3-hydroxy-3-(2-methoxy-6-methylphenyl)-1H-indol-2-one.

Molecular Properties

Compound Name5-chloro-3-hydroxy-3-(2-methoxy-6-methylphenyl)-1H-indol-2-one
PubChem CID22560921
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name5-chloro-3-hydroxy-3-(2-methoxy-6-methylphenyl)-1H-indol-2-one
SMILESCOc1cccc(C)c1C1(O)C(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C16H14ClNO3/c1-9-4-3-5-13(21-2)14(9)16(20)11-8-10(17)6-7-12(11)18-15(16)19/h3-8,20H,1-2H3,(H,18,19)
InChIKeySZXBSLOMYNFWPU-UHFFFAOYSA-N
XLogP2.85
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-hydroxy-3-(2-methoxy-6-methylphenyl)-1H-indol-2-one?
The IUPAC name of 5-chloro-3-hydroxy-3-(2-methoxy-6-methylphenyl)-1H-indol-2-one (CID 22560921) is 5-chloro-3-hydroxy-3-(2-methoxy-6-methylphenyl)-1H-indol-2-one.
What is the SMILES notation for 5-chloro-3-hydroxy-3-(2-methoxy-6-methylphenyl)-1H-indol-2-one?
The canonical SMILES for 5-chloro-3-hydroxy-3-(2-methoxy-6-methylphenyl)-1H-indol-2-one is COc1cccc(C)c1C1(O)C(=O)Nc2ccc(Cl)cc21.
What is the InChIKey of 5-chloro-3-hydroxy-3-(2-methoxy-6-methylphenyl)-1H-indol-2-one?
The InChIKey is SZXBSLOMYNFWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c1-9-4-3-5-13(21-2)14(9)16(20)11-8-10(17)6-7-12(11)18-15(16)19/h3-8,20H,1-2H3,(H,18,19).
What are the key properties of 5-chloro-3-hydroxy-3-(2-methoxy-6-methylphenyl)-1H-indol-2-one?
5-chloro-3-hydroxy-3-(2-methoxy-6-methylphenyl)-1H-indol-2-one has a molecular weight of 303.75 g/mol, XLogP of 2.85, 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-(2-methoxy-6-methylphenyl)-1H-indol-2-one is sourced from PubChem (CID 22560921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).