1-(2-chloro-6-fluoro-4-hydroxyphenyl)-5-methyl-3H-indol-2-one

C15H11ClFNO2 — CID 154584834

IUPAC1-(2-chloro-6-fluoro-4-hydroxyphenyl)-5-methyl-3H-indol-2-one
SMILESCc1ccc2c(c1)CC(=O)N2c1c(F)cc(O)cc1Cl
InChIInChI=1S/C15H11ClFNO2/c1-8-2-3-13-9(4-8)5-14(20)18(13)15-11(16)6-10(19)7-12(15)17/h2-4,6-7,19H,5H2,1H3
InChIKeyRVWXBXJNQUDTIJ-UHFFFAOYSA-N
MW291.71 g/mol
LogP3.71
Rot. Bonds1

About 1-(2-chloro-6-fluoro-4-hydroxyphenyl)-5-methyl-3H-indol-2-one

1-(2-chloro-6-fluoro-4-hydroxyphenyl)-5-methyl-3H-indol-2-one (PubChem CID 154584834) has the molecular formula C15H11ClFNO2 and a molecular weight of 291.71 g/mol. Its IUPAC name is 1-(2-chloro-6-fluoro-4-hydroxyphenyl)-5-methyl-3H-indol-2-one.

Molecular Properties

Compound Name1-(2-chloro-6-fluoro-4-hydroxyphenyl)-5-methyl-3H-indol-2-one
PubChem CID154584834
Molecular FormulaC15H11ClFNO2
Molecular Weight291.71 g/mol
Exact Mass291.05
IUPAC Name1-(2-chloro-6-fluoro-4-hydroxyphenyl)-5-methyl-3H-indol-2-one
SMILESCc1ccc2c(c1)CC(=O)N2c1c(F)cc(O)cc1Cl
InChIInChI=1S/C15H11ClFNO2/c1-8-2-3-13-9(4-8)5-14(20)18(13)15-11(16)6-10(19)7-12(15)17/h2-4,6-7,19H,5H2,1H3
InChIKeyRVWXBXJNQUDTIJ-UHFFFAOYSA-N
XLogP3.71
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.71
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluoro-4-hydroxyphenyl)-5-methyl-3H-indol-2-one?
The IUPAC name of 1-(2-chloro-6-fluoro-4-hydroxyphenyl)-5-methyl-3H-indol-2-one (CID 154584834) is 1-(2-chloro-6-fluoro-4-hydroxyphenyl)-5-methyl-3H-indol-2-one.
What is the SMILES notation for 1-(2-chloro-6-fluoro-4-hydroxyphenyl)-5-methyl-3H-indol-2-one?
The canonical SMILES for 1-(2-chloro-6-fluoro-4-hydroxyphenyl)-5-methyl-3H-indol-2-one is Cc1ccc2c(c1)CC(=O)N2c1c(F)cc(O)cc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluoro-4-hydroxyphenyl)-5-methyl-3H-indol-2-one?
The InChIKey is RVWXBXJNQUDTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO2/c1-8-2-3-13-9(4-8)5-14(20)18(13)15-11(16)6-10(19)7-12(15)17/h2-4,6-7,19H,5H2,1H3.
What are the key properties of 1-(2-chloro-6-fluoro-4-hydroxyphenyl)-5-methyl-3H-indol-2-one?
1-(2-chloro-6-fluoro-4-hydroxyphenyl)-5-methyl-3H-indol-2-one has a molecular weight of 291.71 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluoro-4-hydroxyphenyl)-5-methyl-3H-indol-2-one is sourced from PubChem (CID 154584834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).