2-[3-(2,4-difluorophenyl)propyl]isoindol-1-ol

C17H15F2NO — CID 90794714

IUPAC2-[3-(2,4-difluorophenyl)propyl]isoindol-1-ol
SMILESOc1c2ccccc2cn1CCCc1ccc(F)cc1F
InChIInChI=1S/C17H15F2NO/c18-14-8-7-12(16(19)10-14)5-3-9-20-11-13-4-1-2-6-15(13)17(20)21/h1-2,4,6-8,10-11,21H,3,5,9H2
InChIKeyIFJSQEWFNUTNJR-UHFFFAOYSA-N
MW287.31 g/mol
LogP4.26
Rot. Bonds4

About 2-[3-(2,4-difluorophenyl)propyl]isoindol-1-ol

2-[3-(2,4-difluorophenyl)propyl]isoindol-1-ol (PubChem CID 90794714) has the molecular formula C17H15F2NO and a molecular weight of 287.31 g/mol. Its IUPAC name is 2-[3-(2,4-difluorophenyl)propyl]isoindol-1-ol.

Molecular Properties

Compound Name2-[3-(2,4-difluorophenyl)propyl]isoindol-1-ol
PubChem CID90794714
Molecular FormulaC17H15F2NO
Molecular Weight287.31 g/mol
Exact Mass287.11
IUPAC Name2-[3-(2,4-difluorophenyl)propyl]isoindol-1-ol
SMILESOc1c2ccccc2cn1CCCc1ccc(F)cc1F
InChIInChI=1S/C17H15F2NO/c18-14-8-7-12(16(19)10-14)5-3-9-20-11-13-4-1-2-6-15(13)17(20)21/h1-2,4,6-8,10-11,21H,3,5,9H2
InChIKeyIFJSQEWFNUTNJR-UHFFFAOYSA-N
XLogP4.26
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3h-Imidazo[4,5-C]pyridin-2-Yl)-3,4-Dihydropyrido[2,1-A]isoindol-6(2h)-One
CID 135566392
1-{3-H-imidazo[4,5-c]pyridin-2-yl}-3,4-dihydro-2H-pyrido[2,1-a]-isoindole-6-one
CID 136360144
(1Z)-1-imidazo[4,5-c]pyridin-2-ylidene-3,4-dihydro-2H-pyrido[1,2-b]isoindol-6-ol
CID 135510969
Isoindolol
CID 21225249
Isoindolo[1,2-c][2,4]-benzoxazepine
CID 142755489
6-fluoro-2H-isoindol-1-ol
CID 54270389
2-[4-[4-[(4-Fluorophenyl)methyl]piperidin-1-yl]butyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 54291137
4-fluoro-2H-isoindol-1-ol
CID 54413322
2,2,2-Trifluoro-1-[4-(3-isoindol-2-ylpropyl)phenyl]ethanol
CID 69620548
2H-isoindol-1-yloxy-(2,3,4,5,6-pentafluorophenoxy)borinic acid
CID 88257609
2-[(4-Chlorophenyl)methyl]-5-fluoro-7-methylisoindol-1-ol
CID 90687564
2-[3-[4-(4-Fluorophenoxy)phenyl]propyl]-7-iodoisoindol-1-ol
CID 90701761

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,4-difluorophenyl)propyl]isoindol-1-ol?
The IUPAC name of 2-[3-(2,4-difluorophenyl)propyl]isoindol-1-ol (CID 90794714) is 2-[3-(2,4-difluorophenyl)propyl]isoindol-1-ol.
What is the SMILES notation for 2-[3-(2,4-difluorophenyl)propyl]isoindol-1-ol?
The canonical SMILES for 2-[3-(2,4-difluorophenyl)propyl]isoindol-1-ol is Oc1c2ccccc2cn1CCCc1ccc(F)cc1F.
What is the InChIKey of 2-[3-(2,4-difluorophenyl)propyl]isoindol-1-ol?
The InChIKey is IFJSQEWFNUTNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO/c18-14-8-7-12(16(19)10-14)5-3-9-20-11-13-4-1-2-6-15(13)17(20)21/h1-2,4,6-8,10-11,21H,3,5,9H2.
What are the key properties of 2-[3-(2,4-difluorophenyl)propyl]isoindol-1-ol?
2-[3-(2,4-difluorophenyl)propyl]isoindol-1-ol has a molecular weight of 287.31 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,4-difluorophenyl)propyl]isoindol-1-ol is sourced from PubChem (CID 90794714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).