2-[2-(2-fluorophenyl)ethyl]-3-hydroxy-3-methylisoindol-1-one

C17H16FNO2 — CID 3237528

IUPAC2-[2-(2-fluorophenyl)ethyl]-3-hydroxy-3-methylisoindol-1-one
SMILESCC1(O)c2ccccc2C(=O)N1CCc1ccccc1F
InChIInChI=1S/C17H16FNO2/c1-17(21)14-8-4-3-7-13(14)16(20)19(17)11-10-12-6-2-5-9-15(12)18/h2-9,21H,10-11H2,1H3
InChIKeyLBGHHWFZSGXJGL-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.69
Rot. Bonds3

About 2-[2-(2-fluorophenyl)ethyl]-3-hydroxy-3-methylisoindol-1-one

2-[2-(2-fluorophenyl)ethyl]-3-hydroxy-3-methylisoindol-1-one (PubChem CID 3237528) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)ethyl]-3-hydroxy-3-methylisoindol-1-one.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)ethyl]-3-hydroxy-3-methylisoindol-1-one
PubChem CID3237528
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name2-[2-(2-fluorophenyl)ethyl]-3-hydroxy-3-methylisoindol-1-one
SMILESCC1(O)c2ccccc2C(=O)N1CCc1ccccc1F
InChIInChI=1S/C17H16FNO2/c1-17(21)14-8-4-3-7-13(14)16(20)19(17)11-10-12-6-2-5-9-15(12)18/h2-9,21H,10-11H2,1H3
InChIKeyLBGHHWFZSGXJGL-UHFFFAOYSA-N
XLogP2.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)ethyl]-3-hydroxy-3-methylisoindol-1-one?
The IUPAC name of 2-[2-(2-fluorophenyl)ethyl]-3-hydroxy-3-methylisoindol-1-one (CID 3237528) is 2-[2-(2-fluorophenyl)ethyl]-3-hydroxy-3-methylisoindol-1-one.
What is the SMILES notation for 2-[2-(2-fluorophenyl)ethyl]-3-hydroxy-3-methylisoindol-1-one?
The canonical SMILES for 2-[2-(2-fluorophenyl)ethyl]-3-hydroxy-3-methylisoindol-1-one is CC1(O)c2ccccc2C(=O)N1CCc1ccccc1F.
What is the InChIKey of 2-[2-(2-fluorophenyl)ethyl]-3-hydroxy-3-methylisoindol-1-one?
The InChIKey is LBGHHWFZSGXJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-17(21)14-8-4-3-7-13(14)16(20)19(17)11-10-12-6-2-5-9-15(12)18/h2-9,21H,10-11H2,1H3.
What are the key properties of 2-[2-(2-fluorophenyl)ethyl]-3-hydroxy-3-methylisoindol-1-one?
2-[2-(2-fluorophenyl)ethyl]-3-hydroxy-3-methylisoindol-1-one has a molecular weight of 285.32 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)ethyl]-3-hydroxy-3-methylisoindol-1-one is sourced from PubChem (CID 3237528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).