7-[3-(trifluoromethoxy)phenyl]-5H-naphtho[3,2-c]isochromene-3,9-diol

C24H15F3O4 — CID 11154473

IUPAC7-[3-(trifluoromethoxy)phenyl]-5H-naphtho[3,2-c]isochromene-3,9-diol
SMILESOc1ccc2c(c1)COc1c-2cc2ccc(O)cc2c1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C24H15F3O4/c25-24(26,27)31-18-3-1-2-14(9-18)22-20-11-17(29)5-4-13(20)10-21-19-7-6-16(28)8-15(19)12-30-23(21)22/h1-11,28-29H,12H2
InChIKeyNJFFXAZOEBZAOT-UHFFFAOYSA-N
MW424.37 g/mol
LogP6.38
Rot. Bonds2

About 7-[3-(trifluoromethoxy)phenyl]-5H-naphtho[3,2-c]isochromene-3,9-diol

7-[3-(trifluoromethoxy)phenyl]-5H-naphtho[3,2-c]isochromene-3,9-diol (PubChem CID 11154473) has the molecular formula C24H15F3O4 and a molecular weight of 424.37 g/mol. Its IUPAC name is 7-[3-(trifluoromethoxy)phenyl]-5H-naphtho[3,2-c]isochromene-3,9-diol.

Molecular Properties

Compound Name7-[3-(trifluoromethoxy)phenyl]-5H-naphtho[3,2-c]isochromene-3,9-diol
PubChem CID11154473
Molecular FormulaC24H15F3O4
Molecular Weight424.37 g/mol
Exact Mass424.09
IUPAC Name7-[3-(trifluoromethoxy)phenyl]-5H-naphtho[3,2-c]isochromene-3,9-diol
SMILESOc1ccc2c(c1)COc1c-2cc2ccc(O)cc2c1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C24H15F3O4/c25-24(26,27)31-18-3-1-2-14(9-18)22-20-11-17(29)5-4-13(20)10-21-19-7-6-16(28)8-15(19)12-30-23(21)22/h1-11,28-29H,12H2
InChIKeyNJFFXAZOEBZAOT-UHFFFAOYSA-N
XLogP6.38
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.37
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(trifluoromethoxy)phenyl]-5H-naphtho[3,2-c]isochromene-3,9-diol?
The IUPAC name of 7-[3-(trifluoromethoxy)phenyl]-5H-naphtho[3,2-c]isochromene-3,9-diol (CID 11154473) is 7-[3-(trifluoromethoxy)phenyl]-5H-naphtho[3,2-c]isochromene-3,9-diol.
What is the SMILES notation for 7-[3-(trifluoromethoxy)phenyl]-5H-naphtho[3,2-c]isochromene-3,9-diol?
The canonical SMILES for 7-[3-(trifluoromethoxy)phenyl]-5H-naphtho[3,2-c]isochromene-3,9-diol is Oc1ccc2c(c1)COc1c-2cc2ccc(O)cc2c1-c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 7-[3-(trifluoromethoxy)phenyl]-5H-naphtho[3,2-c]isochromene-3,9-diol?
The InChIKey is NJFFXAZOEBZAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F3O4/c25-24(26,27)31-18-3-1-2-14(9-18)22-20-11-17(29)5-4-13(20)10-21-19-7-6-16(28)8-15(19)12-30-23(21)22/h1-11,28-29H,12H2.
What are the key properties of 7-[3-(trifluoromethoxy)phenyl]-5H-naphtho[3,2-c]isochromene-3,9-diol?
7-[3-(trifluoromethoxy)phenyl]-5H-naphtho[3,2-c]isochromene-3,9-diol has a molecular weight of 424.37 g/mol, XLogP of 6.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(trifluoromethoxy)phenyl]-5H-naphtho[3,2-c]isochromene-3,9-diol is sourced from PubChem (CID 11154473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).