ethyl (2R)-2-(3-fluoro-4-phenylphenyl)propanoate

C17H17FO2 — CID 95242614

IUPACethyl (2R)-2-(3-fluoro-4-phenylphenyl)propanoate
SMILESCCOC(=O)[C@H](C)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C17H17FO2/c1-3-20-17(19)12(2)14-9-10-15(16(18)11-14)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3/t12-/m1/s1
InChIKeyJIYXQCWLSQSIJV-GFCCVEGCSA-N
MW272.32 g/mol
LogP4.16
Rot. Bonds4

About ethyl (2R)-2-(3-fluoro-4-phenylphenyl)propanoate

ethyl (2R)-2-(3-fluoro-4-phenylphenyl)propanoate (PubChem CID 95242614) has the molecular formula C17H17FO2 and a molecular weight of 272.32 g/mol. Its IUPAC name is ethyl (2R)-2-(3-fluoro-4-phenylphenyl)propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-(3-fluoro-4-phenylphenyl)propanoate
PubChem CID95242614
Molecular FormulaC17H17FO2
Molecular Weight272.32 g/mol
Exact Mass272.12
IUPAC Nameethyl (2R)-2-(3-fluoro-4-phenylphenyl)propanoate
SMILESCCOC(=O)[C@H](C)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C17H17FO2/c1-3-20-17(19)12(2)14-9-10-15(16(18)11-14)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3/t12-/m1/s1
InChIKeyJIYXQCWLSQSIJV-GFCCVEGCSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

hexyl 2-(3-fluoro-4-phenylphenyl)propanoate
CID 171478067
benzyl 2-(3-fluoro-4-phenylphenyl)propanoate
CID 16753995
3-aminopropyl 2-(3-fluoro-4-phenylphenyl)propanoate
CID 139513351
3-ethoxy-2-(3-fluoro-4-phenylphenyl)-3-oxopropanoic acid
CID 176915568
2-phenylethyl 2-(3-fluoro-4-phenylphenyl)propanoate
CID 69403845
4-bromobutyl 2-(3-fluoro-4-phenylphenyl)propanoate
CID 52936826
[(2S)-3-[2-(3-fluoro-4-phenylphenyl)propanoyloxy]-2-hydroxypropyl] octanoate
CID 139790255
(dibenzylamino) (2S)-2-(3-fluoro-4-phenylphenyl)propanoate
CID 87119000
2-(3-fluoro-4-phenylphenyl)propanoyl chloride
CID 11032707
sodium;2-(3-fluoro-4-phenylphenyl)propanoic acid;hydride
CID 172995337
sodium;carbonic acid;2-(3-fluoro-4-phenylphenyl)propanoic acid;hydride
CID 173161937
1-bromopentane;2-(3-fluoro-4-phenylphenyl)propanoic acid
CID 174803768

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-(3-fluoro-4-phenylphenyl)propanoate?
The IUPAC name of ethyl (2R)-2-(3-fluoro-4-phenylphenyl)propanoate (CID 95242614) is ethyl (2R)-2-(3-fluoro-4-phenylphenyl)propanoate.
What is the SMILES notation for ethyl (2R)-2-(3-fluoro-4-phenylphenyl)propanoate?
The canonical SMILES for ethyl (2R)-2-(3-fluoro-4-phenylphenyl)propanoate is CCOC(=O)[C@H](C)c1ccc(-c2ccccc2)c(F)c1.
What is the InChIKey of ethyl (2R)-2-(3-fluoro-4-phenylphenyl)propanoate?
The InChIKey is JIYXQCWLSQSIJV-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17FO2/c1-3-20-17(19)12(2)14-9-10-15(16(18)11-14)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3/t12-/m1/s1.
What are the key properties of ethyl (2R)-2-(3-fluoro-4-phenylphenyl)propanoate?
ethyl (2R)-2-(3-fluoro-4-phenylphenyl)propanoate has a molecular weight of 272.32 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-(3-fluoro-4-phenylphenyl)propanoate is sourced from PubChem (CID 95242614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).