6-methoxy-4-[4-(trifluoromethyl)phenyl]-2H-benzo[f]isoindol-1-ol

C20H14F3NO2 — CID 54479502

IUPAC6-methoxy-4-[4-(trifluoromethyl)phenyl]-2H-benzo[f]isoindol-1-ol
SMILESCOc1ccc2cc3c(O)[nH]cc3c(-c3ccc(C(F)(F)F)cc3)c2c1
InChIInChI=1S/C20H14F3NO2/c1-26-14-7-4-12-8-16-17(10-24-19(16)25)18(15(12)9-14)11-2-5-13(6-3-11)20(21,22)23/h2-10,24-25H,1H3
InChIKeyXNZWBGDFBUTAOO-UHFFFAOYSA-N
MW357.33 g/mol
LogP5.72
Rot. Bonds2

About 6-methoxy-4-[4-(trifluoromethyl)phenyl]-2H-benzo[f]isoindol-1-ol

6-methoxy-4-[4-(trifluoromethyl)phenyl]-2H-benzo[f]isoindol-1-ol (PubChem CID 54479502) has the molecular formula C20H14F3NO2 and a molecular weight of 357.33 g/mol. Its IUPAC name is 6-methoxy-4-[4-(trifluoromethyl)phenyl]-2H-benzo[f]isoindol-1-ol.

Molecular Properties

Compound Name6-methoxy-4-[4-(trifluoromethyl)phenyl]-2H-benzo[f]isoindol-1-ol
PubChem CID54479502
Molecular FormulaC20H14F3NO2
Molecular Weight357.33 g/mol
Exact Mass357.10
IUPAC Name6-methoxy-4-[4-(trifluoromethyl)phenyl]-2H-benzo[f]isoindol-1-ol
SMILESCOc1ccc2cc3c(O)[nH]cc3c(-c3ccc(C(F)(F)F)cc3)c2c1
InChIInChI=1S/C20H14F3NO2/c1-26-14-7-4-12-8-16-17(10-24-19(16)25)18(15(12)9-14)11-2-5-13(6-3-11)20(21,22)23/h2-10,24-25H,1H3
InChIKeyXNZWBGDFBUTAOO-UHFFFAOYSA-N
XLogP5.72
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.33
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1S)-3,3,4,4,5,5,6,6,6-nonafluoro-1-(5-methoxy-1H-indol-3-yl)-1-(4-methylphenyl)hexyl]phenol
CID 164686619
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
10-[4-(trifluoromethyl)phenyl]-8H-[1,3]benzodioxolo[7,6-f]isoindol-7-ol
CID 54413592
4-(4-fluorophenyl)-6-methoxy-2H-benzo[f]isoindol-1-ol
CID 54503099
5-(trifluoromethoxy)-2H-isoindole
CID 67485965

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-[4-(trifluoromethyl)phenyl]-2H-benzo[f]isoindol-1-ol?
The IUPAC name of 6-methoxy-4-[4-(trifluoromethyl)phenyl]-2H-benzo[f]isoindol-1-ol (CID 54479502) is 6-methoxy-4-[4-(trifluoromethyl)phenyl]-2H-benzo[f]isoindol-1-ol.
What is the SMILES notation for 6-methoxy-4-[4-(trifluoromethyl)phenyl]-2H-benzo[f]isoindol-1-ol?
The canonical SMILES for 6-methoxy-4-[4-(trifluoromethyl)phenyl]-2H-benzo[f]isoindol-1-ol is COc1ccc2cc3c(O)[nH]cc3c(-c3ccc(C(F)(F)F)cc3)c2c1.
What is the InChIKey of 6-methoxy-4-[4-(trifluoromethyl)phenyl]-2H-benzo[f]isoindol-1-ol?
The InChIKey is XNZWBGDFBUTAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3NO2/c1-26-14-7-4-12-8-16-17(10-24-19(16)25)18(15(12)9-14)11-2-5-13(6-3-11)20(21,22)23/h2-10,24-25H,1H3.
What are the key properties of 6-methoxy-4-[4-(trifluoromethyl)phenyl]-2H-benzo[f]isoindol-1-ol?
6-methoxy-4-[4-(trifluoromethyl)phenyl]-2H-benzo[f]isoindol-1-ol has a molecular weight of 357.33 g/mol, XLogP of 5.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-[4-(trifluoromethyl)phenyl]-2H-benzo[f]isoindol-1-ol is sourced from PubChem (CID 54479502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).