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Isopropyl-4-[2-(4-fluorophenyl)-2-oxoethyl]benzoate

HCID 18510263
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)OC(=O)c1ccc(CC(=O)c2ccc(F)cc2)cc1
InChIKey
VPSUDANZECNGCF-UHFFFAOYSA-N
Molecular formula
C18H17FO3
Average molar mass
300.3 g/mol
Monoisotopic mass
300.11617256

Names & identifiers

Preferred name
Isopropyl-4-[2-(4-fluorophenyl)-2-oxoethyl]benzoate
IUPAC
propan-2-yl 4-[2-(4-fluorophenyl)-2-oxoethyl]benzoate

Names & synonyms

SCHEMBL7169123VPSUDANZECNGCF-UHFFFAOYSA-Nisopropyl-4-[2-(4-fluorophenyl)-2-oxoethyl]benzoate

Database identifiers

PubChem CID
18510263

Properties

Computed structural properties

XLogP
4
Topological polar surface area
43.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
22
Formal charge
0
Complexity
378

Related reactions

5 records
New reaction record
HRID 306104 reaction equation
HRID 306104As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 1126337 reaction equation
HRID 1126337As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1371023 reaction equation
HRID 1371023As productuspto-grants-2003_06
HRID 1371024 reaction equation
HRID 1371024As reactantuspto-grants-2003_06
HRID 1371026 reaction equation
HRID 1371026As reactantuspto-grants-2003_06

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes