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

C21H14F3NO3 — CID 54337539

IUPAC6-methyl-10-[4-(trifluoromethyl)phenyl]-8H-[1,3]benzodioxolo[7,6-f]isoindol-7-ol
SMILESCc1c2ccc3c(c2c(-c2ccc(C(F)(F)F)cc2)c2c[nH]c(O)c12)OCO3
InChIInChI=1S/C21H14F3NO3/c1-10-13-6-7-15-19(28-9-27-15)18(13)17(14-8-25-20(26)16(10)14)11-2-4-12(5-3-11)21(22,23)24/h2-8,25-26H,9H2,1H3
InChIKeyTWONBVYEYNTFGJ-UHFFFAOYSA-N
MW385.34 g/mol
LogP5.75
Rot. Bonds1

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

6-methyl-10-[4-(trifluoromethyl)phenyl]-8H-[1,3]benzodioxolo[7,6-f]isoindol-7-ol (PubChem CID 54337539) has the molecular formula C21H14F3NO3 and a molecular weight of 385.34 g/mol. Its IUPAC name is 6-methyl-10-[4-(trifluoromethyl)phenyl]-8H-[1,3]benzodioxolo[7,6-f]isoindol-7-ol.

Molecular Properties

Compound Name6-methyl-10-[4-(trifluoromethyl)phenyl]-8H-[1,3]benzodioxolo[7,6-f]isoindol-7-ol
PubChem CID54337539
Molecular FormulaC21H14F3NO3
Molecular Weight385.34 g/mol
Exact Mass385.09
IUPAC Name6-methyl-10-[4-(trifluoromethyl)phenyl]-8H-[1,3]benzodioxolo[7,6-f]isoindol-7-ol
SMILESCc1c2ccc3c(c2c(-c2ccc(C(F)(F)F)cc2)c2c[nH]c(O)c12)OCO3
InChIInChI=1S/C21H14F3NO3/c1-10-13-6-7-15-19(28-9-27-15)18(13)17(14-8-25-20(26)16(10)14)11-2-4-12(5-3-11)21(22,23)24/h2-8,25-26H,9H2,1H3
InChIKeyTWONBVYEYNTFGJ-UHFFFAOYSA-N
XLogP5.75
TPSA54.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.34
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

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
10-[4-(trifluoromethyl)phenyl]-8H-[1,3]benzodioxolo[7,6-f]isoindol-7-ol
CID 54413592
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
5-[4-(Aminomethyl)phenyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 91304527

Frequently Asked Questions

What is the IUPAC name of 6-methyl-10-[4-(trifluoromethyl)phenyl]-8H-[1,3]benzodioxolo[7,6-f]isoindol-7-ol?
The IUPAC name of 6-methyl-10-[4-(trifluoromethyl)phenyl]-8H-[1,3]benzodioxolo[7,6-f]isoindol-7-ol (CID 54337539) is 6-methyl-10-[4-(trifluoromethyl)phenyl]-8H-[1,3]benzodioxolo[7,6-f]isoindol-7-ol.
What is the SMILES notation for 6-methyl-10-[4-(trifluoromethyl)phenyl]-8H-[1,3]benzodioxolo[7,6-f]isoindol-7-ol?
The canonical SMILES for 6-methyl-10-[4-(trifluoromethyl)phenyl]-8H-[1,3]benzodioxolo[7,6-f]isoindol-7-ol is Cc1c2ccc3c(c2c(-c2ccc(C(F)(F)F)cc2)c2c[nH]c(O)c12)OCO3.
What is the InChIKey of 6-methyl-10-[4-(trifluoromethyl)phenyl]-8H-[1,3]benzodioxolo[7,6-f]isoindol-7-ol?
The InChIKey is TWONBVYEYNTFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3NO3/c1-10-13-6-7-15-19(28-9-27-15)18(13)17(14-8-25-20(26)16(10)14)11-2-4-12(5-3-11)21(22,23)24/h2-8,25-26H,9H2,1H3.
What are the key properties of 6-methyl-10-[4-(trifluoromethyl)phenyl]-8H-[1,3]benzodioxolo[7,6-f]isoindol-7-ol?
6-methyl-10-[4-(trifluoromethyl)phenyl]-8H-[1,3]benzodioxolo[7,6-f]isoindol-7-ol has a molecular weight of 385.34 g/mol, XLogP of 5.75, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-10-[4-(trifluoromethyl)phenyl]-8H-[1,3]benzodioxolo[7,6-f]isoindol-7-ol is sourced from PubChem (CID 54337539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).