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

C16H11ClF3NO3 — CID 10915301

IUPAC3-(5-chloro-2-methoxyphenyl)-3-hydroxy-5-(trifluoromethyl)-1H-indol-2-one
SMILESCOc1ccc(Cl)cc1C1(O)C(=O)Nc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C16H11ClF3NO3/c1-24-13-5-3-9(17)7-11(13)15(23)10-6-8(16(18,19)20)2-4-12(10)21-14(15)22/h2-7,23H,1H3,(H,21,22)
InChIKeyMRNDORVENRYOCP-UHFFFAOYSA-N
MW357.72 g/mol
LogP3.56
Rot. Bonds2

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

3-(5-chloro-2-methoxyphenyl)-3-hydroxy-5-(trifluoromethyl)-1H-indol-2-one (PubChem CID 10915301) has the molecular formula C16H11ClF3NO3 and a molecular weight of 357.72 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyphenyl)-3-hydroxy-5-(trifluoromethyl)-1H-indol-2-one.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyphenyl)-3-hydroxy-5-(trifluoromethyl)-1H-indol-2-one
PubChem CID10915301
Molecular FormulaC16H11ClF3NO3
Molecular Weight357.72 g/mol
Exact Mass357.04
IUPAC Name3-(5-chloro-2-methoxyphenyl)-3-hydroxy-5-(trifluoromethyl)-1H-indol-2-one
SMILESCOc1ccc(Cl)cc1C1(O)C(=O)Nc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C16H11ClF3NO3/c1-24-13-5-3-9(17)7-11(13)15(23)10-6-8(16(18,19)20)2-4-12(10)21-14(15)22/h2-7,23H,1H3,(H,21,22)
InChIKeyMRNDORVENRYOCP-UHFFFAOYSA-N
XLogP3.56
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.72
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyphenyl)-3-hydroxy-5-(trifluoromethyl)-1H-indol-2-one?
The IUPAC name of 3-(5-chloro-2-methoxyphenyl)-3-hydroxy-5-(trifluoromethyl)-1H-indol-2-one (CID 10915301) is 3-(5-chloro-2-methoxyphenyl)-3-hydroxy-5-(trifluoromethyl)-1H-indol-2-one.
What is the SMILES notation for 3-(5-chloro-2-methoxyphenyl)-3-hydroxy-5-(trifluoromethyl)-1H-indol-2-one?
The canonical SMILES for 3-(5-chloro-2-methoxyphenyl)-3-hydroxy-5-(trifluoromethyl)-1H-indol-2-one is COc1ccc(Cl)cc1C1(O)C(=O)Nc2ccc(C(F)(F)F)cc21.
What is the InChIKey of 3-(5-chloro-2-methoxyphenyl)-3-hydroxy-5-(trifluoromethyl)-1H-indol-2-one?
The InChIKey is MRNDORVENRYOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3NO3/c1-24-13-5-3-9(17)7-11(13)15(23)10-6-8(16(18,19)20)2-4-12(10)21-14(15)22/h2-7,23H,1H3,(H,21,22).
What are the key properties of 3-(5-chloro-2-methoxyphenyl)-3-hydroxy-5-(trifluoromethyl)-1H-indol-2-one?
3-(5-chloro-2-methoxyphenyl)-3-hydroxy-5-(trifluoromethyl)-1H-indol-2-one has a molecular weight of 357.72 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyphenyl)-3-hydroxy-5-(trifluoromethyl)-1H-indol-2-one is sourced from PubChem (CID 10915301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).