2-phenylethyl 2-(3-fluoro-4-phenylphenyl)propanoate

C23H21FO2 — CID 69403845

IUPAC2-phenylethyl 2-(3-fluoro-4-phenylphenyl)propanoate
SMILESCC(C(=O)OCCc1ccccc1)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C23H21FO2/c1-17(23(25)26-15-14-18-8-4-2-5-9-18)20-12-13-21(22(24)16-20)19-10-6-3-7-11-19/h2-13,16-17H,14-15H2,1H3
InChIKeyNAOHBAFEGQAHJF-UHFFFAOYSA-N
MW348.42 g/mol
LogP5.38
Rot. Bonds6

About 2-phenylethyl 2-(3-fluoro-4-phenylphenyl)propanoate

2-phenylethyl 2-(3-fluoro-4-phenylphenyl)propanoate (PubChem CID 69403845) has the molecular formula C23H21FO2 and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-phenylethyl 2-(3-fluoro-4-phenylphenyl)propanoate.

Molecular Properties

Compound Name2-phenylethyl 2-(3-fluoro-4-phenylphenyl)propanoate
PubChem CID69403845
Molecular FormulaC23H21FO2
Molecular Weight348.42 g/mol
Exact Mass348.15
IUPAC Name2-phenylethyl 2-(3-fluoro-4-phenylphenyl)propanoate
SMILESCC(C(=O)OCCc1ccccc1)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C23H21FO2/c1-17(23(25)26-15-14-18-8-4-2-5-9-18)20-12-13-21(22(24)16-20)19-10-6-3-7-11-19/h2-13,16-17H,14-15H2,1H3
InChIKeyNAOHBAFEGQAHJF-UHFFFAOYSA-N
XLogP5.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.42
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl 2-(3-fluoro-4-phenylphenyl)propanoate
CID 16753995
3-aminopropyl 2-(3-fluoro-4-phenylphenyl)propanoate
CID 139513351
ethyl (2R)-2-(3-fluoro-4-phenylphenyl)propanoate
CID 95242614
hexyl 2-(3-fluoro-4-phenylphenyl)propanoate
CID 171478067
4-bromobutyl 2-(3-fluoro-4-phenylphenyl)propanoate
CID 52936826
2-[2-(3-fluoro-4-phenylphenyl)propanoyloxy]ethyl hexa-2,4-dienoate
CID 54280303
(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
2-phenylethyl 2-(3,5-dihydroxyphenyl)propanoate
CID 66702239
sodium;carbonic acid;2-(3-fluoro-4-phenylphenyl)propanoic acid;hydride
CID 173161937
5-(3-fluoro-4-phenylphenyl)-4-oxohexanoic acid
CID 19785566

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl 2-(3-fluoro-4-phenylphenyl)propanoate?
The IUPAC name of 2-phenylethyl 2-(3-fluoro-4-phenylphenyl)propanoate (CID 69403845) is 2-phenylethyl 2-(3-fluoro-4-phenylphenyl)propanoate.
What is the SMILES notation for 2-phenylethyl 2-(3-fluoro-4-phenylphenyl)propanoate?
The canonical SMILES for 2-phenylethyl 2-(3-fluoro-4-phenylphenyl)propanoate is CC(C(=O)OCCc1ccccc1)c1ccc(-c2ccccc2)c(F)c1.
What is the InChIKey of 2-phenylethyl 2-(3-fluoro-4-phenylphenyl)propanoate?
The InChIKey is NAOHBAFEGQAHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FO2/c1-17(23(25)26-15-14-18-8-4-2-5-9-18)20-12-13-21(22(24)16-20)19-10-6-3-7-11-19/h2-13,16-17H,14-15H2,1H3.
What are the key properties of 2-phenylethyl 2-(3-fluoro-4-phenylphenyl)propanoate?
2-phenylethyl 2-(3-fluoro-4-phenylphenyl)propanoate has a molecular weight of 348.42 g/mol, XLogP of 5.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl 2-(3-fluoro-4-phenylphenyl)propanoate is sourced from PubChem (CID 69403845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).