10-[4-(trifluoromethyl)phenyl]-8H-[1,3]benzodioxolo[7,6-f]isoindol-7-ol

C20H12F3NO3 — CID 54413592

IUPAC10-[4-(trifluoromethyl)phenyl]-8H-[1,3]benzodioxolo[7,6-f]isoindol-7-ol
SMILESOc1[nH]cc2c(-c3ccc(C(F)(F)F)cc3)c3c4c(ccc3cc12)OCO4
InChIInChI=1S/C20H12F3NO3/c21-20(22,23)12-4-1-10(2-5-12)16-14-8-24-19(25)13(14)7-11-3-6-15-18(17(11)16)27-9-26-15/h1-8,24-25H,9H2
InChIKeyVVVIXUDRPHDODA-UHFFFAOYSA-N
MW371.31 g/mol
LogP5.44
Rot. Bonds1

About 10-[4-(trifluoromethyl)phenyl]-8H-[1,3]benzodioxolo[7,6-f]isoindol-7-ol

10-[4-(trifluoromethyl)phenyl]-8H-[1,3]benzodioxolo[7,6-f]isoindol-7-ol (PubChem CID 54413592) has the molecular formula C20H12F3NO3 and a molecular weight of 371.31 g/mol. Its IUPAC name is 10-[4-(trifluoromethyl)phenyl]-8H-[1,3]benzodioxolo[7,6-f]isoindol-7-ol.

Molecular Properties

Compound Name10-[4-(trifluoromethyl)phenyl]-8H-[1,3]benzodioxolo[7,6-f]isoindol-7-ol
PubChem CID54413592
Molecular FormulaC20H12F3NO3
Molecular Weight371.31 g/mol
Exact Mass371.08
IUPAC Name10-[4-(trifluoromethyl)phenyl]-8H-[1,3]benzodioxolo[7,6-f]isoindol-7-ol
SMILESOc1[nH]cc2c(-c3ccc(C(F)(F)F)cc3)c3c4c(ccc3cc12)OCO4
InChIInChI=1S/C20H12F3NO3/c21-20(22,23)12-4-1-10(2-5-12)16-14-8-24-19(25)13(14)7-11-3-6-15-18(17(11)16)27-9-26-15/h1-8,24-25H,9H2
InChIKeyVVVIXUDRPHDODA-UHFFFAOYSA-N
XLogP5.44
TPSA54.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.31
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 10-[4-(trifluoromethyl)phenyl]-8H-[1,3]benzodioxolo[7,6-f]isoindol-7-ol with MolForge

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Related Compounds

6,8-Dioxa-18-azapentacyclo[10.7.1.02,10.05,9.016,20]icosa-1(20),2(10),3,5(9),12,14,16,18-octaene
CID 11097328
4-(4-fluorophenyl)-6-methoxy-9-methyl-2H-benzo[f]isoindol-1-ol
CID 53644487
10-(4-fluorophenyl)-6-methyl-8H-[1,3]benzodioxolo[7,6-f]isoindol-7-ol
CID 53827216
10-(4-fluorophenyl)-3,8-dihydro-2H-[1]benzofuro[7,6-f]isoindol-7-ol
CID 53921366
10-(4-fluorophenyl)-6-methoxy-8H-[1,3]benzodioxolo[7,6-f]isoindol-7-ol
CID 53971709
10-(4-fluorophenyl)-8H-[1,3]benzodioxolo[7,6-f]isoindol-7-ol
CID 53991064
6-methoxy-4-[4-(trifluoromethoxy)phenyl]-2H-benzo[f]isoindol-1-ol
CID 54194048
11-(4-fluorophenyl)-3,9-dihydro-2H-[1,4]benzodioxino[8,7-f]isoindol-8-ol
CID 54208883
6-methyl-10-[4-(trifluoromethyl)phenyl]-8H-[1,3]benzodioxolo[7,6-f]isoindol-7-ol
CID 54337539
6-methoxy-4-[4-(trifluoromethyl)phenyl]-2H-benzo[f]isoindol-1-ol
CID 54479502
4-(4-fluorophenyl)-6-methoxy-2H-benzo[f]isoindol-1-ol
CID 54503099
5-[(Benzylamino)methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 91252713

Frequently Asked Questions

What is the IUPAC name of 10-[4-(trifluoromethyl)phenyl]-8H-[1,3]benzodioxolo[7,6-f]isoindol-7-ol?
The IUPAC name of 10-[4-(trifluoromethyl)phenyl]-8H-[1,3]benzodioxolo[7,6-f]isoindol-7-ol (CID 54413592) is 10-[4-(trifluoromethyl)phenyl]-8H-[1,3]benzodioxolo[7,6-f]isoindol-7-ol.
What is the SMILES notation for 10-[4-(trifluoromethyl)phenyl]-8H-[1,3]benzodioxolo[7,6-f]isoindol-7-ol?
The canonical SMILES for 10-[4-(trifluoromethyl)phenyl]-8H-[1,3]benzodioxolo[7,6-f]isoindol-7-ol is Oc1[nH]cc2c(-c3ccc(C(F)(F)F)cc3)c3c4c(ccc3cc12)OCO4.
What is the InChIKey of 10-[4-(trifluoromethyl)phenyl]-8H-[1,3]benzodioxolo[7,6-f]isoindol-7-ol?
The InChIKey is VVVIXUDRPHDODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3NO3/c21-20(22,23)12-4-1-10(2-5-12)16-14-8-24-19(25)13(14)7-11-3-6-15-18(17(11)16)27-9-26-15/h1-8,24-25H,9H2.
What are the key properties of 10-[4-(trifluoromethyl)phenyl]-8H-[1,3]benzodioxolo[7,6-f]isoindol-7-ol?
10-[4-(trifluoromethyl)phenyl]-8H-[1,3]benzodioxolo[7,6-f]isoindol-7-ol has a molecular weight of 371.31 g/mol, XLogP of 5.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(trifluoromethyl)phenyl]-8H-[1,3]benzodioxolo[7,6-f]isoindol-7-ol is sourced from PubChem (CID 54413592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).