5-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one

C17H16FNO2 — CID 81479753

IUPAC5-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one
SMILESCc1cccc(C(O)c2ccc3c(c2)CC(=O)N3C)c1F
InChIInChI=1S/C17H16FNO2/c1-10-4-3-5-13(16(10)18)17(21)11-6-7-14-12(8-11)9-15(20)19(14)2/h3-8,17,21H,9H2,1-2H3
InChIKeyYKNLAMXQLOVECR-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.73
Rot. Bonds2

About 5-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one

5-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one (PubChem CID 81479753) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is 5-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one
PubChem CID81479753
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name5-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one
SMILESCc1cccc(C(O)c2ccc3c(c2)CC(=O)N3C)c1F
InChIInChI=1S/C17H16FNO2/c1-10-4-3-5-13(16(10)18)17(21)11-6-7-14-12(8-11)9-15(20)19(14)2/h3-8,17,21H,9H2,1-2H3
InChIKeyYKNLAMXQLOVECR-UHFFFAOYSA-N
XLogP2.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one?
The IUPAC name of 5-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one (CID 81479753) is 5-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one is Cc1cccc(C(O)c2ccc3c(c2)CC(=O)N3C)c1F.
What is the InChIKey of 5-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one?
The InChIKey is YKNLAMXQLOVECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-10-4-3-5-13(16(10)18)17(21)11-6-7-14-12(8-11)9-15(20)19(14)2/h3-8,17,21H,9H2,1-2H3.
What are the key properties of 5-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one?
5-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one has a molecular weight of 285.32 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 81479753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).