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

C16H14FNO2 — CID 141211060

IUPAC2-[1-(3-fluorophenyl)ethyl]-3-hydroxy-3H-isoindol-1-one
SMILESCC(c1cccc(F)c1)N1C(=O)c2ccccc2C1O
InChIInChI=1S/C16H14FNO2/c1-10(11-5-4-6-12(17)9-11)18-15(19)13-7-2-3-8-14(13)16(18)20/h2-10,15,19H,1H3
InChIKeyYOQROYZAWGWGPL-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.03
Rot. Bonds2

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

2-[1-(3-fluorophenyl)ethyl]-3-hydroxy-3H-isoindol-1-one (PubChem CID 141211060) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is 2-[1-(3-fluorophenyl)ethyl]-3-hydroxy-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[1-(3-fluorophenyl)ethyl]-3-hydroxy-3H-isoindol-1-one
PubChem CID141211060
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name2-[1-(3-fluorophenyl)ethyl]-3-hydroxy-3H-isoindol-1-one
SMILESCC(c1cccc(F)c1)N1C(=O)c2ccccc2C1O
InChIInChI=1S/C16H14FNO2/c1-10(11-5-4-6-12(17)9-11)18-15(19)13-7-2-3-8-14(13)16(18)20/h2-10,15,19H,1H3
InChIKeyYOQROYZAWGWGPL-UHFFFAOYSA-N
XLogP3.03
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-2-[1-(1-hydroxy-3-oxo-1H-isoindol-2-yl)ethyl]-3-phenylquinoline-4-carbonitrile
CID 90997521
1-[1-(3-fluorophenyl)ethyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64965949
N-tert-butyl-3-oxo-2-(1-phenylethyl)-1H-isoindole-1-carboxamide
CID 68775440
3-fluoro-N'-[2-[1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]propanoyl]benzohydrazide
CID 4043700
(3R)-3-(N-phenylanilino)-2-[(1R)-1-phenylethyl]-3H-isoindol-1-one
CID 40871712
3-(N-phenylanilino)-2-(1-phenylethyl)-3H-isoindol-1-one
CID 25246446
1-[1-(3-fluorophenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64965974
methyl (E,2S)-2-[(1R)-1-hydroxy-3-oxo-1H-isoindol-2-yl]pent-3-enoate
CID 5467959
3-hydroxy-2-[1-(2-phenylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)ethyl]-3H-isoindol-1-one
CID 135962795
2-benzhydryl-N-[(2,4-difluorophenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide
CID 68771404
(2R)-2-(3-hydroxyphenyl)-3-[(1R)-1-phenylethyl]-1,2-dihydroquinazolin-4-one
CID 40795206
1-[1-(3-fluorophenyl)ethyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64966045

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluorophenyl)ethyl]-3-hydroxy-3H-isoindol-1-one?
The IUPAC name of 2-[1-(3-fluorophenyl)ethyl]-3-hydroxy-3H-isoindol-1-one (CID 141211060) is 2-[1-(3-fluorophenyl)ethyl]-3-hydroxy-3H-isoindol-1-one.
What is the SMILES notation for 2-[1-(3-fluorophenyl)ethyl]-3-hydroxy-3H-isoindol-1-one?
The canonical SMILES for 2-[1-(3-fluorophenyl)ethyl]-3-hydroxy-3H-isoindol-1-one is CC(c1cccc(F)c1)N1C(=O)c2ccccc2C1O.
What is the InChIKey of 2-[1-(3-fluorophenyl)ethyl]-3-hydroxy-3H-isoindol-1-one?
The InChIKey is YOQROYZAWGWGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2/c1-10(11-5-4-6-12(17)9-11)18-15(19)13-7-2-3-8-14(13)16(18)20/h2-10,15,19H,1H3.
What are the key properties of 2-[1-(3-fluorophenyl)ethyl]-3-hydroxy-3H-isoindol-1-one?
2-[1-(3-fluorophenyl)ethyl]-3-hydroxy-3H-isoindol-1-one has a molecular weight of 271.29 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluorophenyl)ethyl]-3-hydroxy-3H-isoindol-1-one is sourced from PubChem (CID 141211060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).