2-[(4-fluorophenyl)methyl]-3-methoxy-3H-isoindol-1-one

C16H14FNO2 — CID 23724287

IUPAC2-[(4-fluorophenyl)methyl]-3-methoxy-3H-isoindol-1-one
SMILESCOC1c2ccccc2C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C16H14FNO2/c1-20-16-14-5-3-2-4-13(14)15(19)18(16)10-11-6-8-12(17)9-7-11/h2-9,16H,10H2,1H3
InChIKeyILSOJFGJIOGUEP-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.13
Rot. Bonds3

About 2-[(4-fluorophenyl)methyl]-3-methoxy-3H-isoindol-1-one

2-[(4-fluorophenyl)methyl]-3-methoxy-3H-isoindol-1-one (PubChem CID 23724287) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-3-methoxy-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-3-methoxy-3H-isoindol-1-one
PubChem CID23724287
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name2-[(4-fluorophenyl)methyl]-3-methoxy-3H-isoindol-1-one
SMILESCOC1c2ccccc2C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C16H14FNO2/c1-20-16-14-5-3-2-4-13(14)15(19)18(16)10-11-6-8-12(17)9-7-11/h2-9,16H,10H2,1H3
InChIKeyILSOJFGJIOGUEP-UHFFFAOYSA-N
XLogP3.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-3-methoxy-3H-isoindol-1-one?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-3-methoxy-3H-isoindol-1-one (CID 23724287) is 2-[(4-fluorophenyl)methyl]-3-methoxy-3H-isoindol-1-one.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-3-methoxy-3H-isoindol-1-one?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-3-methoxy-3H-isoindol-1-one is COC1c2ccccc2C(=O)N1Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-3-methoxy-3H-isoindol-1-one?
The InChIKey is ILSOJFGJIOGUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2/c1-20-16-14-5-3-2-4-13(14)15(19)18(16)10-11-6-8-12(17)9-7-11/h2-9,16H,10H2,1H3.
What are the key properties of 2-[(4-fluorophenyl)methyl]-3-methoxy-3H-isoindol-1-one?
2-[(4-fluorophenyl)methyl]-3-methoxy-3H-isoindol-1-one has a molecular weight of 271.29 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-3-methoxy-3H-isoindol-1-one is sourced from PubChem (CID 23724287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).