3-(4-fluorophenyl)-3-(3-hydroxycyclopentyl)oxy-2-propylisoindol-1-one

C22H24FNO3 — CID 53318463

IUPAC3-(4-fluorophenyl)-3-(3-hydroxycyclopentyl)oxy-2-propylisoindol-1-one
SMILESCCCN1C(=O)c2ccccc2C1(OC1CCC(O)C1)c1ccc(F)cc1
InChIInChI=1S/C22H24FNO3/c1-2-13-24-21(26)19-5-3-4-6-20(19)22(24,15-7-9-16(23)10-8-15)27-18-12-11-17(25)14-18/h3-10,17-18,25H,2,11-14H2,1H3
InChIKeyQBTWQHLSEJRMBJ-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.82
Rot. Bonds5

About 3-(4-fluorophenyl)-3-(3-hydroxycyclopentyl)oxy-2-propylisoindol-1-one

3-(4-fluorophenyl)-3-(3-hydroxycyclopentyl)oxy-2-propylisoindol-1-one (PubChem CID 53318463) has the molecular formula C22H24FNO3 and a molecular weight of 369.44 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-(3-hydroxycyclopentyl)oxy-2-propylisoindol-1-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-(3-hydroxycyclopentyl)oxy-2-propylisoindol-1-one
PubChem CID53318463
Molecular FormulaC22H24FNO3
Molecular Weight369.44 g/mol
Exact Mass369.17
IUPAC Name3-(4-fluorophenyl)-3-(3-hydroxycyclopentyl)oxy-2-propylisoindol-1-one
SMILESCCCN1C(=O)c2ccccc2C1(OC1CCC(O)C1)c1ccc(F)cc1
InChIInChI=1S/C22H24FNO3/c1-2-13-24-21(26)19-5-3-4-6-20(19)22(24,15-7-9-16(23)10-8-15)27-18-12-11-17(25)14-18/h3-10,17-18,25H,2,11-14H2,1H3
InChIKeyQBTWQHLSEJRMBJ-UHFFFAOYSA-N
XLogP3.82
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9b-phenyl-2,3-dihydro[1,3]oxazolo[2,3-a]isoindol-5(9bH)-one
CID 455106
3-Hydroxy-3-benzyl-2-prop-2-enylisoindolin-1-one
CID 2957302
2-(4-fluorobenzyl)-3-methoxy-2,3-dihydro-1H-isoindol-1-one
CID 23724287
2-Benzyl-3-hydroxy-3-methyl-2,3-dihydro-isoindol-1-one
CID 650824
2-[2-(2-Fluorophenyl)ethyl]-3-hydroxy-3-methylisoindol-1-one
CID 3237528
MS-2764
CID 3796131
10b-phenyl-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one
CID 455110
Isoindolinone scaffold, 53
CID 16090405
Isoindolinone scaffold, 57
CID 16090453
3-Benzyl-3-hydroxy-2-isobutyl-2,3-dihydro-isoindol-1-one
CID 2898388
3-hydroxy-2-(1-phenylethyl)-3H-isoindol-1-one
CID 9550759
(+/-)-(cis/trans)-2-Benzyl-3-(4-chlorophenyl)-3-(3-hydroxycyclopentoxy)-2,3-dihydroisoindol-1-one
CID 11502965

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-(3-hydroxycyclopentyl)oxy-2-propylisoindol-1-one?
The IUPAC name of 3-(4-fluorophenyl)-3-(3-hydroxycyclopentyl)oxy-2-propylisoindol-1-one (CID 53318463) is 3-(4-fluorophenyl)-3-(3-hydroxycyclopentyl)oxy-2-propylisoindol-1-one.
What is the SMILES notation for 3-(4-fluorophenyl)-3-(3-hydroxycyclopentyl)oxy-2-propylisoindol-1-one?
The canonical SMILES for 3-(4-fluorophenyl)-3-(3-hydroxycyclopentyl)oxy-2-propylisoindol-1-one is CCCN1C(=O)c2ccccc2C1(OC1CCC(O)C1)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-3-(3-hydroxycyclopentyl)oxy-2-propylisoindol-1-one?
The InChIKey is QBTWQHLSEJRMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO3/c1-2-13-24-21(26)19-5-3-4-6-20(19)22(24,15-7-9-16(23)10-8-15)27-18-12-11-17(25)14-18/h3-10,17-18,25H,2,11-14H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-3-(3-hydroxycyclopentyl)oxy-2-propylisoindol-1-one?
3-(4-fluorophenyl)-3-(3-hydroxycyclopentyl)oxy-2-propylisoindol-1-one has a molecular weight of 369.44 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-(3-hydroxycyclopentyl)oxy-2-propylisoindol-1-one is sourced from PubChem (CID 53318463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).