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

C22H19FO2 — CID 16753995

IUPACbenzyl 2-(3-fluoro-4-phenylphenyl)propanoate
SMILESCC(C(=O)OCc1ccccc1)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C22H19FO2/c1-16(22(24)25-15-17-8-4-2-5-9-17)19-12-13-20(21(23)14-19)18-10-6-3-7-11-18/h2-14,16H,15H2,1H3
InChIKeyQNHSFEMTWSMTTN-UHFFFAOYSA-N
MW334.39 g/mol
LogP5.34
Rot. Bonds5

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

benzyl 2-(3-fluoro-4-phenylphenyl)propanoate (PubChem CID 16753995) has the molecular formula C22H19FO2 and a molecular weight of 334.39 g/mol. Its IUPAC name is benzyl 2-(3-fluoro-4-phenylphenyl)propanoate.

Molecular Properties

Compound Namebenzyl 2-(3-fluoro-4-phenylphenyl)propanoate
PubChem CID16753995
Molecular FormulaC22H19FO2
Molecular Weight334.39 g/mol
Exact Mass334.14
IUPAC Namebenzyl 2-(3-fluoro-4-phenylphenyl)propanoate
SMILESCC(C(=O)OCc1ccccc1)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C22H19FO2/c1-16(22(24)25-15-17-8-4-2-5-9-17)19-12-13-20(21(23)14-19)18-10-6-3-7-11-18/h2-14,16H,15H2,1H3
InChIKeyQNHSFEMTWSMTTN-UHFFFAOYSA-N
XLogP5.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.39
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenylethyl 2-(3-fluoro-4-phenylphenyl)propanoate
CID 69403845
ethyl (2R)-2-(3-fluoro-4-phenylphenyl)propanoate
CID 95242614
3-aminopropyl 2-(3-fluoro-4-phenylphenyl)propanoate
CID 139513351
(dibenzylamino) (2S)-2-(3-fluoro-4-phenylphenyl)propanoate
CID 87119000
hexyl 2-(3-fluoro-4-phenylphenyl)propanoate
CID 171478067
4-bromobutyl 2-(3-fluoro-4-phenylphenyl)propanoate
CID 52936826
[6-(nitrooxymethyl)-2-pyridinyl]methyl 2-(3-fluoro-4-phenylphenyl)propanoate
CID 10295009
sodium;2-(3-fluoro-4-phenylphenyl)propanoic acid;hydride
CID 172995337
sodium;carbonic acid;2-(3-fluoro-4-phenylphenyl)propanoic acid;hydride
CID 173161937
5-(3-fluoro-4-phenylphenyl)-4-oxohexanoic acid
CID 19785566
2-[2-(3-fluoro-4-phenylphenyl)propanoyloxy]ethyl hexa-2,4-dienoate
CID 54280303
2,3-dinitrooxypropyl 2-(3-fluoro-4-phenylphenyl)propanoate
CID 176761405

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(3-fluoro-4-phenylphenyl)propanoate?
The IUPAC name of benzyl 2-(3-fluoro-4-phenylphenyl)propanoate (CID 16753995) is benzyl 2-(3-fluoro-4-phenylphenyl)propanoate.
What is the SMILES notation for benzyl 2-(3-fluoro-4-phenylphenyl)propanoate?
The canonical SMILES for benzyl 2-(3-fluoro-4-phenylphenyl)propanoate is CC(C(=O)OCc1ccccc1)c1ccc(-c2ccccc2)c(F)c1.
What is the InChIKey of benzyl 2-(3-fluoro-4-phenylphenyl)propanoate?
The InChIKey is QNHSFEMTWSMTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FO2/c1-16(22(24)25-15-17-8-4-2-5-9-17)19-12-13-20(21(23)14-19)18-10-6-3-7-11-18/h2-14,16H,15H2,1H3.
What are the key properties of benzyl 2-(3-fluoro-4-phenylphenyl)propanoate?
benzyl 2-(3-fluoro-4-phenylphenyl)propanoate has a molecular weight of 334.39 g/mol, XLogP of 5.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(3-fluoro-4-phenylphenyl)propanoate is sourced from PubChem (CID 16753995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).