5-fluoro-3-hydroxy-3-(2-hydroxy-4-propan-2-ylphenyl)-6-methyl-1H-indol-2-one

C18H18FNO3 — CID 3711917

IUPAC5-fluoro-3-hydroxy-3-(2-hydroxy-4-propan-2-ylphenyl)-6-methyl-1H-indol-2-one
SMILESCc1cc2c(cc1F)C(O)(c1ccc(C(C)C)cc1O)C(=O)N2
InChIInChI=1S/C18H18FNO3/c1-9(2)11-4-5-12(16(21)7-11)18(23)13-8-14(19)10(3)6-15(13)20-17(18)22/h4-9,21,23H,1-3H3,(H,20,22)
InChIKeyJEFNTPJFIXIJRV-UHFFFAOYSA-N
MW315.34 g/mol
LogP3.15
Rot. Bonds2

About 5-fluoro-3-hydroxy-3-(2-hydroxy-4-propan-2-ylphenyl)-6-methyl-1H-indol-2-one

5-fluoro-3-hydroxy-3-(2-hydroxy-4-propan-2-ylphenyl)-6-methyl-1H-indol-2-one (PubChem CID 3711917) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is 5-fluoro-3-hydroxy-3-(2-hydroxy-4-propan-2-ylphenyl)-6-methyl-1H-indol-2-one.

Molecular Properties

Compound Name5-fluoro-3-hydroxy-3-(2-hydroxy-4-propan-2-ylphenyl)-6-methyl-1H-indol-2-one
PubChem CID3711917
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC Name5-fluoro-3-hydroxy-3-(2-hydroxy-4-propan-2-ylphenyl)-6-methyl-1H-indol-2-one
SMILESCc1cc2c(cc1F)C(O)(c1ccc(C(C)C)cc1O)C(=O)N2
InChIInChI=1S/C18H18FNO3/c1-9(2)11-4-5-12(16(21)7-11)18(23)13-8-14(19)10(3)6-15(13)20-17(18)22/h4-9,21,23H,1-3H3,(H,20,22)
InChIKeyJEFNTPJFIXIJRV-UHFFFAOYSA-N
XLogP3.15
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-hydroxy-3-(2-hydroxy-4-propan-2-ylphenyl)-6-methyl-1H-indol-2-one?
The IUPAC name of 5-fluoro-3-hydroxy-3-(2-hydroxy-4-propan-2-ylphenyl)-6-methyl-1H-indol-2-one (CID 3711917) is 5-fluoro-3-hydroxy-3-(2-hydroxy-4-propan-2-ylphenyl)-6-methyl-1H-indol-2-one.
What is the SMILES notation for 5-fluoro-3-hydroxy-3-(2-hydroxy-4-propan-2-ylphenyl)-6-methyl-1H-indol-2-one?
The canonical SMILES for 5-fluoro-3-hydroxy-3-(2-hydroxy-4-propan-2-ylphenyl)-6-methyl-1H-indol-2-one is Cc1cc2c(cc1F)C(O)(c1ccc(C(C)C)cc1O)C(=O)N2.
What is the InChIKey of 5-fluoro-3-hydroxy-3-(2-hydroxy-4-propan-2-ylphenyl)-6-methyl-1H-indol-2-one?
The InChIKey is JEFNTPJFIXIJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3/c1-9(2)11-4-5-12(16(21)7-11)18(23)13-8-14(19)10(3)6-15(13)20-17(18)22/h4-9,21,23H,1-3H3,(H,20,22).
What are the key properties of 5-fluoro-3-hydroxy-3-(2-hydroxy-4-propan-2-ylphenyl)-6-methyl-1H-indol-2-one?
5-fluoro-3-hydroxy-3-(2-hydroxy-4-propan-2-ylphenyl)-6-methyl-1H-indol-2-one has a molecular weight of 315.34 g/mol, XLogP of 3.15, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-hydroxy-3-(2-hydroxy-4-propan-2-ylphenyl)-6-methyl-1H-indol-2-one is sourced from PubChem (CID 3711917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).