2-[3-[3-(trifluoromethyl)phenyl]propyl]isoindol-1-ol

C18H16F3NO — CID 90805338

IUPAC2-[3-[3-(trifluoromethyl)phenyl]propyl]isoindol-1-ol
SMILESOc1c2ccccc2cn1CCCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H16F3NO/c19-18(20,21)15-8-3-5-13(11-15)6-4-10-22-12-14-7-1-2-9-16(14)17(22)23/h1-3,5,7-9,11-12,23H,4,6,10H2
InChIKeyQBRDKNPAHCIKSL-UHFFFAOYSA-N
MW319.33 g/mol
LogP5.00
Rot. Bonds4

About 2-[3-[3-(trifluoromethyl)phenyl]propyl]isoindol-1-ol

2-[3-[3-(trifluoromethyl)phenyl]propyl]isoindol-1-ol (PubChem CID 90805338) has the molecular formula C18H16F3NO and a molecular weight of 319.33 g/mol. Its IUPAC name is 2-[3-[3-(trifluoromethyl)phenyl]propyl]isoindol-1-ol.

Molecular Properties

Compound Name2-[3-[3-(trifluoromethyl)phenyl]propyl]isoindol-1-ol
PubChem CID90805338
Molecular FormulaC18H16F3NO
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC Name2-[3-[3-(trifluoromethyl)phenyl]propyl]isoindol-1-ol
SMILESOc1c2ccccc2cn1CCCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H16F3NO/c19-18(20,21)15-8-3-5-13(11-15)6-4-10-22-12-14-7-1-2-9-16(14)17(22)23/h1-3,5,7-9,11-12,23H,4,6,10H2
InChIKeyQBRDKNPAHCIKSL-UHFFFAOYSA-N
XLogP5.00
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[[3-(Trifluoromethyl)phenyl]methyl]indol-3-yl]methanol
CID 16738801
Isoindolol
CID 21225249
2-Methyl-4-[2-[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethenyl]-4,9-dihydrobenzo[f]isoindole-1,3-diol
CID 54064308
6-fluoro-2H-isoindol-1-ol
CID 54270389
4-fluoro-2H-isoindol-1-ol
CID 54413322
4-(6-Ethyl-4-methylindol-1-yl)-2-fluorophenol
CID 68199547
2,2,2-Trifluoro-1-[4-(3-isoindol-2-ylpropyl)phenyl]ethanol
CID 69620548
5-[(1-Ethylpiperidin-4-yl)methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90686906
2-[(4-Chlorophenyl)methyl]-5-fluoro-7-methylisoindol-1-ol
CID 90687564
6-Fluoro-2-[(4-fluorophenyl)methyl]-7-methylisoindol-1-ol
CID 90705871
5-Methoxy-2-[[4-(trifluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)isoindol-1-ol
CID 90710239
7-Methyl-5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90714114

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(trifluoromethyl)phenyl]propyl]isoindol-1-ol?
The IUPAC name of 2-[3-[3-(trifluoromethyl)phenyl]propyl]isoindol-1-ol (CID 90805338) is 2-[3-[3-(trifluoromethyl)phenyl]propyl]isoindol-1-ol.
What is the SMILES notation for 2-[3-[3-(trifluoromethyl)phenyl]propyl]isoindol-1-ol?
The canonical SMILES for 2-[3-[3-(trifluoromethyl)phenyl]propyl]isoindol-1-ol is Oc1c2ccccc2cn1CCCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-[3-(trifluoromethyl)phenyl]propyl]isoindol-1-ol?
The InChIKey is QBRDKNPAHCIKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO/c19-18(20,21)15-8-3-5-13(11-15)6-4-10-22-12-14-7-1-2-9-16(14)17(22)23/h1-3,5,7-9,11-12,23H,4,6,10H2.
What are the key properties of 2-[3-[3-(trifluoromethyl)phenyl]propyl]isoindol-1-ol?
2-[3-[3-(trifluoromethyl)phenyl]propyl]isoindol-1-ol has a molecular weight of 319.33 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(trifluoromethyl)phenyl]propyl]isoindol-1-ol is sourced from PubChem (CID 90805338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).