6-methoxy-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydrobenzo[f]isoindol-1-one

C20H14F3NO3 — CID 19353372

IUPAC6-methoxy-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydrobenzo[f]isoindol-1-one
SMILESCOc1ccc2cc3c(c(-c4ccc(OC(F)(F)F)cc4)c2c1)CNC3=O
InChIInChI=1S/C20H14F3NO3/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)27-20(21,22)23/h2-9H,10H2,1H3,(H,24,25)
InChIKeyBVBBWESPVIMCBD-UHFFFAOYSA-N
MW373.33 g/mol
LogP4.66
Rot. Bonds3

About 6-methoxy-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydrobenzo[f]isoindol-1-one

6-methoxy-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydrobenzo[f]isoindol-1-one (PubChem CID 19353372) has the molecular formula C20H14F3NO3 and a molecular weight of 373.33 g/mol. Its IUPAC name is 6-methoxy-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydrobenzo[f]isoindol-1-one.

Molecular Properties

Compound Name6-methoxy-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydrobenzo[f]isoindol-1-one
PubChem CID19353372
Molecular FormulaC20H14F3NO3
Molecular Weight373.33 g/mol
Exact Mass373.09
IUPAC Name6-methoxy-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydrobenzo[f]isoindol-1-one
SMILESCOc1ccc2cc3c(c(-c4ccc(OC(F)(F)F)cc4)c2c1)CNC3=O
InChIInChI=1S/C20H14F3NO3/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)27-20(21,22)23/h2-9H,10H2,1H3,(H,24,25)
InChIKeyBVBBWESPVIMCBD-UHFFFAOYSA-N
XLogP4.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydrobenzo[f]isoindol-1-one?
The IUPAC name of 6-methoxy-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydrobenzo[f]isoindol-1-one (CID 19353372) is 6-methoxy-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydrobenzo[f]isoindol-1-one.
What is the SMILES notation for 6-methoxy-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydrobenzo[f]isoindol-1-one?
The canonical SMILES for 6-methoxy-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydrobenzo[f]isoindol-1-one is COc1ccc2cc3c(c(-c4ccc(OC(F)(F)F)cc4)c2c1)CNC3=O.
What is the InChIKey of 6-methoxy-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydrobenzo[f]isoindol-1-one?
The InChIKey is BVBBWESPVIMCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3NO3/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)27-20(21,22)23/h2-9H,10H2,1H3,(H,24,25).
What are the key properties of 6-methoxy-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydrobenzo[f]isoindol-1-one?
6-methoxy-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydrobenzo[f]isoindol-1-one has a molecular weight of 373.33 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydrobenzo[f]isoindol-1-one is sourced from PubChem (CID 19353372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).