4-(4-fluorophenyl)-6-methoxy-9-methyl-2,3-dihydrobenzo[f]isoindol-1-one

C20H16FNO2 — CID 19353299

IUPAC4-(4-fluorophenyl)-6-methoxy-9-methyl-2,3-dihydrobenzo[f]isoindol-1-one
SMILESCOc1ccc2c(C)c3c(c(-c4ccc(F)cc4)c2c1)CNC3=O
InChIInChI=1S/C20H16FNO2/c1-11-15-8-7-14(24-2)9-16(15)19(12-3-5-13(21)6-4-12)17-10-22-20(23)18(11)17/h3-9H,10H2,1-2H3,(H,22,23)
InChIKeyZVHWINRCPOPGJR-UHFFFAOYSA-N
MW321.35 g/mol
LogP4.21
Rot. Bonds2

About 4-(4-fluorophenyl)-6-methoxy-9-methyl-2,3-dihydrobenzo[f]isoindol-1-one

4-(4-fluorophenyl)-6-methoxy-9-methyl-2,3-dihydrobenzo[f]isoindol-1-one (PubChem CID 19353299) has the molecular formula C20H16FNO2 and a molecular weight of 321.35 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-6-methoxy-9-methyl-2,3-dihydrobenzo[f]isoindol-1-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-6-methoxy-9-methyl-2,3-dihydrobenzo[f]isoindol-1-one
PubChem CID19353299
Molecular FormulaC20H16FNO2
Molecular Weight321.35 g/mol
Exact Mass321.12
IUPAC Name4-(4-fluorophenyl)-6-methoxy-9-methyl-2,3-dihydrobenzo[f]isoindol-1-one
SMILESCOc1ccc2c(C)c3c(c(-c4ccc(F)cc4)c2c1)CNC3=O
InChIInChI=1S/C20H16FNO2/c1-11-15-8-7-14(24-2)9-16(15)19(12-3-5-13(21)6-4-12)17-10-22-20(23)18(11)17/h3-9H,10H2,1-2H3,(H,22,23)
InChIKeyZVHWINRCPOPGJR-UHFFFAOYSA-N
XLogP4.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-6-methoxy-9-methyl-2,3-dihydrobenzo[f]isoindol-1-one?
The IUPAC name of 4-(4-fluorophenyl)-6-methoxy-9-methyl-2,3-dihydrobenzo[f]isoindol-1-one (CID 19353299) is 4-(4-fluorophenyl)-6-methoxy-9-methyl-2,3-dihydrobenzo[f]isoindol-1-one.
What is the SMILES notation for 4-(4-fluorophenyl)-6-methoxy-9-methyl-2,3-dihydrobenzo[f]isoindol-1-one?
The canonical SMILES for 4-(4-fluorophenyl)-6-methoxy-9-methyl-2,3-dihydrobenzo[f]isoindol-1-one is COc1ccc2c(C)c3c(c(-c4ccc(F)cc4)c2c1)CNC3=O.
What is the InChIKey of 4-(4-fluorophenyl)-6-methoxy-9-methyl-2,3-dihydrobenzo[f]isoindol-1-one?
The InChIKey is ZVHWINRCPOPGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO2/c1-11-15-8-7-14(24-2)9-16(15)19(12-3-5-13(21)6-4-12)17-10-22-20(23)18(11)17/h3-9H,10H2,1-2H3,(H,22,23).
What are the key properties of 4-(4-fluorophenyl)-6-methoxy-9-methyl-2,3-dihydrobenzo[f]isoindol-1-one?
4-(4-fluorophenyl)-6-methoxy-9-methyl-2,3-dihydrobenzo[f]isoindol-1-one has a molecular weight of 321.35 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-6-methoxy-9-methyl-2,3-dihydrobenzo[f]isoindol-1-one is sourced from PubChem (CID 19353299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).