1,3-dihydroisoindol-2-yl-[2-hydroxy-5-[2-(trifluoromethyl)phenyl]phenyl]methanone

C22H16F3NO2 — CID 15942235

IUPAC1,3-dihydroisoindol-2-yl-[2-hydroxy-5-[2-(trifluoromethyl)phenyl]phenyl]methanone
SMILESO=C(c1cc(-c2ccccc2C(F)(F)F)ccc1O)N1Cc2ccccc2C1
InChIInChI=1S/C22H16F3NO2/c23-22(24,25)19-8-4-3-7-17(19)14-9-10-20(27)18(11-14)21(28)26-12-15-5-1-2-6-16(15)13-26/h1-11,27H,12-13H2
InChIKeyZMQKGUMKMROVPD-UHFFFAOYSA-N
MW383.37 g/mol
LogP5.23
Rot. Bonds2

About 1,3-dihydroisoindol-2-yl-[2-hydroxy-5-[2-(trifluoromethyl)phenyl]phenyl]methanone

1,3-dihydroisoindol-2-yl-[2-hydroxy-5-[2-(trifluoromethyl)phenyl]phenyl]methanone (PubChem CID 15942235) has the molecular formula C22H16F3NO2 and a molecular weight of 383.37 g/mol. Its IUPAC name is 1,3-dihydroisoindol-2-yl-[2-hydroxy-5-[2-(trifluoromethyl)phenyl]phenyl]methanone.

Molecular Properties

Compound Name1,3-dihydroisoindol-2-yl-[2-hydroxy-5-[2-(trifluoromethyl)phenyl]phenyl]methanone
PubChem CID15942235
Molecular FormulaC22H16F3NO2
Molecular Weight383.37 g/mol
Exact Mass383.11
IUPAC Name1,3-dihydroisoindol-2-yl-[2-hydroxy-5-[2-(trifluoromethyl)phenyl]phenyl]methanone
SMILESO=C(c1cc(-c2ccccc2C(F)(F)F)ccc1O)N1Cc2ccccc2C1
InChIInChI=1S/C22H16F3NO2/c23-22(24,25)19-8-4-3-7-17(19)14-9-10-20(27)18(11-14)21(28)26-12-15-5-1-2-6-16(15)13-26/h1-11,27H,12-13H2
InChIKeyZMQKGUMKMROVPD-UHFFFAOYSA-N
XLogP5.23
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.37
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroisoindol-2-yl-[2-hydroxy-5-[2-(trifluoromethyl)phenyl]phenyl]methanone?
The IUPAC name of 1,3-dihydroisoindol-2-yl-[2-hydroxy-5-[2-(trifluoromethyl)phenyl]phenyl]methanone (CID 15942235) is 1,3-dihydroisoindol-2-yl-[2-hydroxy-5-[2-(trifluoromethyl)phenyl]phenyl]methanone.
What is the SMILES notation for 1,3-dihydroisoindol-2-yl-[2-hydroxy-5-[2-(trifluoromethyl)phenyl]phenyl]methanone?
The canonical SMILES for 1,3-dihydroisoindol-2-yl-[2-hydroxy-5-[2-(trifluoromethyl)phenyl]phenyl]methanone is O=C(c1cc(-c2ccccc2C(F)(F)F)ccc1O)N1Cc2ccccc2C1.
What is the InChIKey of 1,3-dihydroisoindol-2-yl-[2-hydroxy-5-[2-(trifluoromethyl)phenyl]phenyl]methanone?
The InChIKey is ZMQKGUMKMROVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3NO2/c23-22(24,25)19-8-4-3-7-17(19)14-9-10-20(27)18(11-14)21(28)26-12-15-5-1-2-6-16(15)13-26/h1-11,27H,12-13H2.
What are the key properties of 1,3-dihydroisoindol-2-yl-[2-hydroxy-5-[2-(trifluoromethyl)phenyl]phenyl]methanone?
1,3-dihydroisoindol-2-yl-[2-hydroxy-5-[2-(trifluoromethyl)phenyl]phenyl]methanone has a molecular weight of 383.37 g/mol, XLogP of 5.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroisoindol-2-yl-[2-hydroxy-5-[2-(trifluoromethyl)phenyl]phenyl]methanone is sourced from PubChem (CID 15942235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).