propyl 4-[4-(2-fluorophenyl)phenyl]-4-oxobutanoate

C19H19FO3 — CID 21437990

IUPACpropyl 4-[4-(2-fluorophenyl)phenyl]-4-oxobutanoate
SMILESCCCOC(=O)CCC(=O)c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C19H19FO3/c1-2-13-23-19(22)12-11-18(21)15-9-7-14(8-10-15)16-5-3-4-6-17(16)20/h3-10H,2,11-13H2,1H3
InChIKeyIRVPRTXKLTYOBJ-UHFFFAOYSA-N
MW314.36 g/mol
LogP4.41
Rot. Bonds7

About propyl 4-[4-(2-fluorophenyl)phenyl]-4-oxobutanoate

propyl 4-[4-(2-fluorophenyl)phenyl]-4-oxobutanoate (PubChem CID 21437990) has the molecular formula C19H19FO3 and a molecular weight of 314.36 g/mol. Its IUPAC name is propyl 4-[4-(2-fluorophenyl)phenyl]-4-oxobutanoate.

Molecular Properties

Compound Namepropyl 4-[4-(2-fluorophenyl)phenyl]-4-oxobutanoate
PubChem CID21437990
Molecular FormulaC19H19FO3
Molecular Weight314.36 g/mol
Exact Mass314.13
IUPAC Namepropyl 4-[4-(2-fluorophenyl)phenyl]-4-oxobutanoate
SMILESCCCOC(=O)CCC(=O)c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C19H19FO3/c1-2-13-23-19(22)12-11-18(21)15-9-7-14(8-10-15)16-5-3-4-6-17(16)20/h3-10H,2,11-13H2,1H3
InChIKeyIRVPRTXKLTYOBJ-UHFFFAOYSA-N
XLogP4.41
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

propyl 4-(4-fluorophenyl)-4-oxobutanoate
CID 54941734
N-ethyl-4-[4-(2-fluorophenyl)phenyl]-4-oxobutanamide
CID 163430114
propyl 2-[1-[4-(2-fluorophenyl)phenyl]ethylsulfonyl]acetate
CID 54262348
propyl 4-(3-cyano-4-fluorophenyl)-4-oxobutanoate
CID 107936549
ethyl 4-[4-(2-nitrophenyl)phenyl]-4-oxobutanoate
CID 54507629
hexyl 4-oxo-4-phenylbutanoate
CID 12510433
butyl 4-oxo-4-(4-propoxyphenyl)butanoate
CID 60731121
propyl 4-(3,4-dimethylphenyl)-4-oxobutanoate
CID 54943270
2-methoxyethyl 4-(4-fluorophenyl)-4-oxobutanoate
CID 78830805
(2-fluorophenyl)methyl 4-(4-fluorophenyl)-4-oxobutanoate
CID 78760383
propyl 4-[3-(difluoromethyl)phenyl]-4-oxobutanoate
CID 113329070
2-fluorobutyl 4-oxo-4-(4-phenylphenyl)butanoate
CID 121368180

Frequently Asked Questions

What is the IUPAC name of propyl 4-[4-(2-fluorophenyl)phenyl]-4-oxobutanoate?
The IUPAC name of propyl 4-[4-(2-fluorophenyl)phenyl]-4-oxobutanoate (CID 21437990) is propyl 4-[4-(2-fluorophenyl)phenyl]-4-oxobutanoate.
What is the SMILES notation for propyl 4-[4-(2-fluorophenyl)phenyl]-4-oxobutanoate?
The canonical SMILES for propyl 4-[4-(2-fluorophenyl)phenyl]-4-oxobutanoate is CCCOC(=O)CCC(=O)c1ccc(-c2ccccc2F)cc1.
What is the InChIKey of propyl 4-[4-(2-fluorophenyl)phenyl]-4-oxobutanoate?
The InChIKey is IRVPRTXKLTYOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FO3/c1-2-13-23-19(22)12-11-18(21)15-9-7-14(8-10-15)16-5-3-4-6-17(16)20/h3-10H,2,11-13H2,1H3.
What are the key properties of propyl 4-[4-(2-fluorophenyl)phenyl]-4-oxobutanoate?
propyl 4-[4-(2-fluorophenyl)phenyl]-4-oxobutanoate has a molecular weight of 314.36 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[4-(2-fluorophenyl)phenyl]-4-oxobutanoate is sourced from PubChem (CID 21437990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).