2-fluorobutyl 4-oxo-4-(4-phenylphenyl)butanoate

C20H21FO3 — CID 121368180

IUPAC2-fluorobutyl 4-oxo-4-(4-phenylphenyl)butanoate
SMILESCCC(F)COC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H21FO3/c1-2-18(21)14-24-20(23)13-12-19(22)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,18H,2,12-14H2,1H3
InChIKeyYGOVBUDBTARVKT-UHFFFAOYSA-N
MW328.38 g/mol
LogP4.61
Rot. Bonds8

About 2-fluorobutyl 4-oxo-4-(4-phenylphenyl)butanoate

2-fluorobutyl 4-oxo-4-(4-phenylphenyl)butanoate (PubChem CID 121368180) has the molecular formula C20H21FO3 and a molecular weight of 328.38 g/mol. Its IUPAC name is 2-fluorobutyl 4-oxo-4-(4-phenylphenyl)butanoate.

Molecular Properties

Compound Name2-fluorobutyl 4-oxo-4-(4-phenylphenyl)butanoate
PubChem CID121368180
Molecular FormulaC20H21FO3
Molecular Weight328.38 g/mol
Exact Mass328.15
IUPAC Name2-fluorobutyl 4-oxo-4-(4-phenylphenyl)butanoate
SMILESCCC(F)COC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H21FO3/c1-2-18(21)14-24-20(23)13-12-19(22)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,18H,2,12-14H2,1H3
InChIKeyYGOVBUDBTARVKT-UHFFFAOYSA-N
XLogP4.61
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylbutyl 4-oxo-4-phenylbutanoate
CID 162412375
methyl 4-oxo-4-(4-phenylphenyl)butanoate
CID 527312
methyl 4-oxo-4-[4-(4-phenylphenyl)phenyl]butanoate
CID 10871655
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 4-oxo-4-(4-phenylphenyl)butanoate
CID 8971401
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-oxo-4-(4-phenylphenyl)butanoate
CID 8971558
ethyl 5-oxo-5-(4-phenylphenyl)pentanoate
CID 15728866
trimethylsilyl 4-oxo-4-(4-phenylphenyl)butanoate
CID 91727584
1-O-methyl 4-O-[2-oxo-2-(4-phenylphenyl)ethyl] butanedioate
CID 19132591
(2-anilino-2-oxoethyl) 4-oxo-4-(4-phenylphenyl)butanoate
CID 8971115
3-aminohexan-3-yl 4-oxo-4-(4-phenylphenyl)butanoate
CID 174824453
N-methoxy-4-oxo-4-(4-phenylphenyl)butanamide
CID 71943599
(2-ethyl-1,3-thiazol-4-yl)methyl 4-oxo-4-(4-phenylphenyl)butanoate
CID 55541281

Frequently Asked Questions

What is the IUPAC name of 2-fluorobutyl 4-oxo-4-(4-phenylphenyl)butanoate?
The IUPAC name of 2-fluorobutyl 4-oxo-4-(4-phenylphenyl)butanoate (CID 121368180) is 2-fluorobutyl 4-oxo-4-(4-phenylphenyl)butanoate.
What is the SMILES notation for 2-fluorobutyl 4-oxo-4-(4-phenylphenyl)butanoate?
The canonical SMILES for 2-fluorobutyl 4-oxo-4-(4-phenylphenyl)butanoate is CCC(F)COC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-fluorobutyl 4-oxo-4-(4-phenylphenyl)butanoate?
The InChIKey is YGOVBUDBTARVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FO3/c1-2-18(21)14-24-20(23)13-12-19(22)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,18H,2,12-14H2,1H3.
What are the key properties of 2-fluorobutyl 4-oxo-4-(4-phenylphenyl)butanoate?
2-fluorobutyl 4-oxo-4-(4-phenylphenyl)butanoate has a molecular weight of 328.38 g/mol, XLogP of 4.61, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorobutyl 4-oxo-4-(4-phenylphenyl)butanoate is sourced from PubChem (CID 121368180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).