5-chloro-7-methoxy-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol

C17H13ClF3NO3 — CID 91347366

IUPAC5-chloro-7-methoxy-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
SMILESCOc1cc(Cl)cc2cn(Cc3ccc(OC(F)(F)F)cc3)c(O)c12
InChIInChI=1S/C17H13ClF3NO3/c1-24-14-7-12(18)6-11-9-22(16(23)15(11)14)8-10-2-4-13(5-3-10)25-17(19,20)21/h2-7,9,23H,8H2,1H3
InChIKeyNDJUKKRFLDUHPH-UHFFFAOYSA-N
MW371.74 g/mol
LogP4.96
Rot. Bonds4

About 5-chloro-7-methoxy-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol

5-chloro-7-methoxy-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol (PubChem CID 91347366) has the molecular formula C17H13ClF3NO3 and a molecular weight of 371.74 g/mol. Its IUPAC name is 5-chloro-7-methoxy-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol.

Molecular Properties

Compound Name5-chloro-7-methoxy-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
PubChem CID91347366
Molecular FormulaC17H13ClF3NO3
Molecular Weight371.74 g/mol
Exact Mass371.05
IUPAC Name5-chloro-7-methoxy-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
SMILESCOc1cc(Cl)cc2cn(Cc3ccc(OC(F)(F)F)cc3)c(O)c12
InChIInChI=1S/C17H13ClF3NO3/c1-24-14-7-12(18)6-11-9-22(16(23)15(11)14)8-10-2-4-13(5-3-10)25-17(19,20)21/h2-7,9,23H,8H2,1H3
InChIKeyNDJUKKRFLDUHPH-UHFFFAOYSA-N
XLogP4.96
TPSA43.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.74
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Chloro-2-[[4-(trifluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)isoindol-1-ol
CID 90703191
5-Methoxy-2-[[4-(trifluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)isoindol-1-ol
CID 90710239
7-Chloro-5-fluoro-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90754498
7-Chloro-6-fluoro-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90762498
5,7-Dichloro-2-[[4-(difluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90781008
5,7-Dimethoxy-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90893382
7-Methoxy-5-pyridin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90911372
2-[[4-(Trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90925442
7-chloro-N',1-dihydroxy-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindole-5-carboximidamide
CID 90928598
5,7-Dichloro-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90948211
7-Iodo-5-methoxy-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90986377
7-Chloro-5-fluoro-2-[1-[4-(trifluoromethoxy)phenyl]ethyl]isoindol-1-ol
CID 90998466

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-methoxy-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
The IUPAC name of 5-chloro-7-methoxy-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol (CID 91347366) is 5-chloro-7-methoxy-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol.
What is the SMILES notation for 5-chloro-7-methoxy-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
The canonical SMILES for 5-chloro-7-methoxy-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol is COc1cc(Cl)cc2cn(Cc3ccc(OC(F)(F)F)cc3)c(O)c12.
What is the InChIKey of 5-chloro-7-methoxy-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
The InChIKey is NDJUKKRFLDUHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3NO3/c1-24-14-7-12(18)6-11-9-22(16(23)15(11)14)8-10-2-4-13(5-3-10)25-17(19,20)21/h2-7,9,23H,8H2,1H3.
What are the key properties of 5-chloro-7-methoxy-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
5-chloro-7-methoxy-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol has a molecular weight of 371.74 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-methoxy-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol is sourced from PubChem (CID 91347366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).