2-(4-ethylphenyl)-3-(4-fluorophenyl)propanoic acid

C17H17FO2 — CID 82093362

IUPAC2-(4-ethylphenyl)-3-(4-fluorophenyl)propanoic acid
SMILESCCc1ccc(C(Cc2ccc(F)cc2)C(=O)O)cc1
InChIInChI=1S/C17H17FO2/c1-2-12-3-7-14(8-4-12)16(17(19)20)11-13-5-9-15(18)10-6-13/h3-10,16H,2,11H2,1H3,(H,19,20)
InChIKeyYIHBLJXHPGIJEP-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.80
Rot. Bonds5

About 2-(4-ethylphenyl)-3-(4-fluorophenyl)propanoic acid

2-(4-ethylphenyl)-3-(4-fluorophenyl)propanoic acid (PubChem CID 82093362) has the molecular formula C17H17FO2 and a molecular weight of 272.32 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-3-(4-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name2-(4-ethylphenyl)-3-(4-fluorophenyl)propanoic acid
PubChem CID82093362
Molecular FormulaC17H17FO2
Molecular Weight272.32 g/mol
Exact Mass272.12
IUPAC Name2-(4-ethylphenyl)-3-(4-fluorophenyl)propanoic acid
SMILESCCc1ccc(C(Cc2ccc(F)cc2)C(=O)O)cc1
InChIInChI=1S/C17H17FO2/c1-2-12-3-7-14(8-4-12)16(17(19)20)11-13-5-9-15(18)10-6-13/h3-10,16H,2,11H2,1H3,(H,19,20)
InChIKeyYIHBLJXHPGIJEP-UHFFFAOYSA-N
XLogP3.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-ethylphenyl)-3-(4-methylphenyl)propanoic acid
CID 82092601
3-(4-ethylphenyl)-2-(4-hydroxyphenyl)propanoic acid
CID 83953187
(2R)-3-(4-fluorophenyl)-2-phenylpropanoic acid
CID 795470
3-(4-bromophenyl)-2-(4-fluorophenyl)propanoic acid
CID 79434042
1-[2-chloro-2-(4-ethylphenyl)ethyl]-4-fluorobenzene
CID 63431842
(3R)-4-(4-fluorophenyl)-3-phenylbutan-2-one
CID 129364574
3-(6-chloro-3-pyridinyl)-2-(4-fluorophenyl)propanoic acid
CID 83066559
3-(4-ethylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 83953183
3-(3-chloro-4-hydroxyphenyl)-2-(4-ethylphenyl)propanoic acid
CID 83952274
3-(3-chloro-4-hydroxyphenyl)-2-(4-fluorophenyl)propanoic acid
CID 83952263
2-(4-ethylphenyl)-2-[(4-fluorophenyl)methylamino]acetic acid
CID 84747391
2-(4-fluorophenyl)-3-(4-methoxy-3-propoxyphenyl)propanoic acid
CID 82160495

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-3-(4-fluorophenyl)propanoic acid?
The IUPAC name of 2-(4-ethylphenyl)-3-(4-fluorophenyl)propanoic acid (CID 82093362) is 2-(4-ethylphenyl)-3-(4-fluorophenyl)propanoic acid.
What is the SMILES notation for 2-(4-ethylphenyl)-3-(4-fluorophenyl)propanoic acid?
The canonical SMILES for 2-(4-ethylphenyl)-3-(4-fluorophenyl)propanoic acid is CCc1ccc(C(Cc2ccc(F)cc2)C(=O)O)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-3-(4-fluorophenyl)propanoic acid?
The InChIKey is YIHBLJXHPGIJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO2/c1-2-12-3-7-14(8-4-12)16(17(19)20)11-13-5-9-15(18)10-6-13/h3-10,16H,2,11H2,1H3,(H,19,20).
What are the key properties of 2-(4-ethylphenyl)-3-(4-fluorophenyl)propanoic acid?
2-(4-ethylphenyl)-3-(4-fluorophenyl)propanoic acid has a molecular weight of 272.32 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-3-(4-fluorophenyl)propanoic acid is sourced from PubChem (CID 82093362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).