7-chloro-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindole-1,5-diol

C16H11ClF3NO3 — CID 91324791

IUPAC7-chloro-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindole-1,5-diol
SMILESOc1cc(Cl)c2c(O)n(Cc3ccc(OC(F)(F)F)cc3)cc2c1
InChIInChI=1S/C16H11ClF3NO3/c17-13-6-11(22)5-10-8-21(15(23)14(10)13)7-9-1-3-12(4-2-9)24-16(18,19)20/h1-6,8,22-23H,7H2
InChIKeyJNBZBQLMAFGINU-UHFFFAOYSA-N
MW357.72 g/mol
LogP4.65
Rot. Bonds3

About 7-chloro-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindole-1,5-diol

7-chloro-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindole-1,5-diol (PubChem CID 91324791) has the molecular formula C16H11ClF3NO3 and a molecular weight of 357.72 g/mol. Its IUPAC name is 7-chloro-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindole-1,5-diol.

Molecular Properties

Compound Name7-chloro-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindole-1,5-diol
PubChem CID91324791
Molecular FormulaC16H11ClF3NO3
Molecular Weight357.72 g/mol
Exact Mass357.04
IUPAC Name7-chloro-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindole-1,5-diol
SMILESOc1cc(Cl)c2c(O)n(Cc3ccc(OC(F)(F)F)cc3)cc2c1
InChIInChI=1S/C16H11ClF3NO3/c17-13-6-11(22)5-10-8-21(15(23)14(10)13)7-9-1-3-12(4-2-9)24-16(18,19)20/h1-6,8,22-23H,7H2
InChIKeyJNBZBQLMAFGINU-UHFFFAOYSA-N
XLogP4.65
TPSA54.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.72
LogP ≤ 54.65
H-Bond Donors ≤ 52
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
4-[[4-[[7-Chloro-1-hydroxy-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-5-yl]methyl]piperazin-1-yl]methyl]benzonitrile
CID 90795045
2-[[4-[4-(Trifluoromethyl)phenoxy]phenyl]methyl]isoindol-1-ol
CID 90821580
5-Fluoro-7-methyl-2-[1-[4-(trifluoromethoxy)phenyl]ethyl]isoindol-1-ol
CID 90823715
7-Chloro-5-(piperidin-4-ylmethyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90835369
7-Chloro-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90869001
7-Chloro-5-(piperidin-4-ylmethylamino)-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90876871
7-Chloro-5-[methyl(pyridin-4-ylmethyl)amino]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90885263

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindole-1,5-diol?
The IUPAC name of 7-chloro-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindole-1,5-diol (CID 91324791) is 7-chloro-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindole-1,5-diol.
What is the SMILES notation for 7-chloro-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindole-1,5-diol?
The canonical SMILES for 7-chloro-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindole-1,5-diol is Oc1cc(Cl)c2c(O)n(Cc3ccc(OC(F)(F)F)cc3)cc2c1.
What is the InChIKey of 7-chloro-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindole-1,5-diol?
The InChIKey is JNBZBQLMAFGINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3NO3/c17-13-6-11(22)5-10-8-21(15(23)14(10)13)7-9-1-3-12(4-2-9)24-16(18,19)20/h1-6,8,22-23H,7H2.
What are the key properties of 7-chloro-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindole-1,5-diol?
7-chloro-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindole-1,5-diol has a molecular weight of 357.72 g/mol, XLogP of 4.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindole-1,5-diol is sourced from PubChem (CID 91324791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).