6-[(3-fluorophenyl)methoxy]-2-(2-methoxyethyl)-3H-isoindol-1-one

C18H18FNO3 — CID 10380980

IUPAC6-[(3-fluorophenyl)methoxy]-2-(2-methoxyethyl)-3H-isoindol-1-one
SMILESCOCCN1Cc2ccc(OCc3cccc(F)c3)cc2C1=O
InChIInChI=1S/C18H18FNO3/c1-22-8-7-20-11-14-5-6-16(10-17(14)18(20)21)23-12-13-3-2-4-15(19)9-13/h2-6,9-10H,7-8,11-12H2,1H3
InChIKeyORRAHJOXDYVJPV-UHFFFAOYSA-N
MW315.34 g/mol
LogP3.01
Rot. Bonds6

About 6-[(3-fluorophenyl)methoxy]-2-(2-methoxyethyl)-3H-isoindol-1-one

6-[(3-fluorophenyl)methoxy]-2-(2-methoxyethyl)-3H-isoindol-1-one (PubChem CID 10380980) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is 6-[(3-fluorophenyl)methoxy]-2-(2-methoxyethyl)-3H-isoindol-1-one.

Molecular Properties

Compound Name6-[(3-fluorophenyl)methoxy]-2-(2-methoxyethyl)-3H-isoindol-1-one
PubChem CID10380980
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC Name6-[(3-fluorophenyl)methoxy]-2-(2-methoxyethyl)-3H-isoindol-1-one
SMILESCOCCN1Cc2ccc(OCc3cccc(F)c3)cc2C1=O
InChIInChI=1S/C18H18FNO3/c1-22-8-7-20-11-14-5-6-16(10-17(14)18(20)21)23-12-13-3-2-4-15(19)9-13/h2-6,9-10H,7-8,11-12H2,1H3
InChIKeyORRAHJOXDYVJPV-UHFFFAOYSA-N
XLogP3.01
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxybenzyl)phthalimide
CID 519849
1H-Isoindole-1,3(2H)-dione, 5,5'-oxybis[2-methyl-
CID 119652
5-(benzyloxy)-1H-isoindole-1,3(2H)-dione
CID 10682287
2-[4-(dimethylamino)phenyl]-5-(2-fluoroethoxy)-3H-isoindol-1-one
CID 25242570
2-[4-(dimethylamino)phenyl]-5-(3-fluoropropoxy)-3H-isoindol-1-one
CID 25267384
3-cyclopentyloxy-4-fluoro-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide
CID 137362029
3-cyclopentyloxy-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide
CID 137362887
5-(2-Methoxyphenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione
CID 4988615
2-[2-(3-Methylphenoxy)ethyl]isoindole-1,3-dione
CID 973136
5-[(4-Fluorophenyl)methoxy]-2-methyl-3,4-dihydroisoquinolin-1-one
CID 2151914
2-[2-(4-fluorophenoxy)ethyl]-1H-isoindole-1,3(2H)-dione
CID 2230352
Morpholino(3-phenoxyphenyl)methanone
CID 6465484

Frequently Asked Questions

What is the IUPAC name of 6-[(3-fluorophenyl)methoxy]-2-(2-methoxyethyl)-3H-isoindol-1-one?
The IUPAC name of 6-[(3-fluorophenyl)methoxy]-2-(2-methoxyethyl)-3H-isoindol-1-one (CID 10380980) is 6-[(3-fluorophenyl)methoxy]-2-(2-methoxyethyl)-3H-isoindol-1-one.
What is the SMILES notation for 6-[(3-fluorophenyl)methoxy]-2-(2-methoxyethyl)-3H-isoindol-1-one?
The canonical SMILES for 6-[(3-fluorophenyl)methoxy]-2-(2-methoxyethyl)-3H-isoindol-1-one is COCCN1Cc2ccc(OCc3cccc(F)c3)cc2C1=O.
What is the InChIKey of 6-[(3-fluorophenyl)methoxy]-2-(2-methoxyethyl)-3H-isoindol-1-one?
The InChIKey is ORRAHJOXDYVJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3/c1-22-8-7-20-11-14-5-6-16(10-17(14)18(20)21)23-12-13-3-2-4-15(19)9-13/h2-6,9-10H,7-8,11-12H2,1H3.
What are the key properties of 6-[(3-fluorophenyl)methoxy]-2-(2-methoxyethyl)-3H-isoindol-1-one?
6-[(3-fluorophenyl)methoxy]-2-(2-methoxyethyl)-3H-isoindol-1-one has a molecular weight of 315.34 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-fluorophenyl)methoxy]-2-(2-methoxyethyl)-3H-isoindol-1-one is sourced from PubChem (CID 10380980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).