3-ethoxy-6-fluoro-1-phenyl-1H-isoindole

C16H14FNO — CID 150988877

IUPAC3-ethoxy-6-fluoro-1-phenyl-1H-isoindole
SMILESCCOC1=NC(c2ccccc2)c2cc(F)ccc21
InChIInChI=1S/C16H14FNO/c1-2-19-16-13-9-8-12(17)10-14(13)15(18-16)11-6-4-3-5-7-11/h3-10,15H,2H2,1H3
InChIKeyLRRIIRITNWWQEG-UHFFFAOYSA-N
MW255.29 g/mol
LogP3.71
Rot. Bonds2

About 3-ethoxy-6-fluoro-1-phenyl-1H-isoindole

3-ethoxy-6-fluoro-1-phenyl-1H-isoindole (PubChem CID 150988877) has the molecular formula C16H14FNO and a molecular weight of 255.29 g/mol. Its IUPAC name is 3-ethoxy-6-fluoro-1-phenyl-1H-isoindole.

Molecular Properties

Compound Name3-ethoxy-6-fluoro-1-phenyl-1H-isoindole
PubChem CID150988877
Molecular FormulaC16H14FNO
Molecular Weight255.29 g/mol
Exact Mass255.11
IUPAC Name3-ethoxy-6-fluoro-1-phenyl-1H-isoindole
SMILESCCOC1=NC(c2ccccc2)c2cc(F)ccc21
InChIInChI=1S/C16H14FNO/c1-2-19-16-13-9-8-12(17)10-14(13)15(18-16)11-6-4-3-5-7-11/h3-10,15H,2H2,1H3
InChIKeyLRRIIRITNWWQEG-UHFFFAOYSA-N
XLogP3.71
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-Diphenyl-1,3-oxazoline
CID 10889524
4-(4-Tert-butylphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 14853220
2-(2,6-Difluorophenyl)-4-(4-octylphenyl)-4,5-dihydro-1,3-oxazole
CID 15007761
2-(2,6-Difluorophenyl)-4-(4-n-decylphenyl)-2-oxazoline
CID 15007772
2-(2,6-Difluorophenyl)-4-(4-ethylphenyl)-4,5-dihydro-1,3-oxazole
CID 76334202
7-Methoxy-5H-dibenz(c,E)azepine
CID 375835
2-(3-Methylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 9547842
2-(2,6-Difluorophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 44414791
(4S)-4-benzyl-2-(3-methylphenyl)-4,5-dihydro-1,3-oxazole
CID 17756895
2-(2,6-Difluorophenyl)-4-(4-hexylphenyl)-4,5-dihydro-1,3-oxazole
CID 14853231
2-(2,6-Difluorophenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 14853251
4-(2,4-Difluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 14853270

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-6-fluoro-1-phenyl-1H-isoindole?
The IUPAC name of 3-ethoxy-6-fluoro-1-phenyl-1H-isoindole (CID 150988877) is 3-ethoxy-6-fluoro-1-phenyl-1H-isoindole.
What is the SMILES notation for 3-ethoxy-6-fluoro-1-phenyl-1H-isoindole?
The canonical SMILES for 3-ethoxy-6-fluoro-1-phenyl-1H-isoindole is CCOC1=NC(c2ccccc2)c2cc(F)ccc21.
What is the InChIKey of 3-ethoxy-6-fluoro-1-phenyl-1H-isoindole?
The InChIKey is LRRIIRITNWWQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO/c1-2-19-16-13-9-8-12(17)10-14(13)15(18-16)11-6-4-3-5-7-11/h3-10,15H,2H2,1H3.
What are the key properties of 3-ethoxy-6-fluoro-1-phenyl-1H-isoindole?
3-ethoxy-6-fluoro-1-phenyl-1H-isoindole has a molecular weight of 255.29 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-6-fluoro-1-phenyl-1H-isoindole is sourced from PubChem (CID 150988877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).