ethyl 3-(3-fluoro-4-phenylphenyl)-3-hydroxybutanoate

C18H19FO3 — CID 54351158

IUPACethyl 3-(3-fluoro-4-phenylphenyl)-3-hydroxybutanoate
SMILESCCOC(=O)CC(C)(O)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C18H19FO3/c1-3-22-17(20)12-18(2,21)14-9-10-15(16(19)11-14)13-7-5-4-6-8-13/h4-11,21H,3,12H2,1-2H3
InChIKeyUFWDBCSYAKTZEV-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.65
Rot. Bonds5

About ethyl 3-(3-fluoro-4-phenylphenyl)-3-hydroxybutanoate

ethyl 3-(3-fluoro-4-phenylphenyl)-3-hydroxybutanoate (PubChem CID 54351158) has the molecular formula C18H19FO3 and a molecular weight of 302.35 g/mol. Its IUPAC name is ethyl 3-(3-fluoro-4-phenylphenyl)-3-hydroxybutanoate.

Molecular Properties

Compound Nameethyl 3-(3-fluoro-4-phenylphenyl)-3-hydroxybutanoate
PubChem CID54351158
Molecular FormulaC18H19FO3
Molecular Weight302.35 g/mol
Exact Mass302.13
IUPAC Nameethyl 3-(3-fluoro-4-phenylphenyl)-3-hydroxybutanoate
SMILESCCOC(=O)CC(C)(O)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C18H19FO3/c1-3-22-17(20)12-18(2,21)14-9-10-15(16(19)11-14)13-7-5-4-6-8-13/h4-11,21H,3,12H2,1-2H3
InChIKeyUFWDBCSYAKTZEV-UHFFFAOYSA-N
XLogP3.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

rel-(1R,2S)-2-Hydroxy-2-phenylcyclohexanecarboxylic acid
CID 68776
Fenpyroximate M-15
CID 18334393
Ethyl diphenylglycolate
CID 96261
5-(Biphenyl-4-yl)-3-methoxypentanoic acid
CID 45482998
(4R,6S)-6-[(E)-2-[2-[4-fluoro-3-(hydroxymethyl)phenyl]-4,6-dimethylphenyl]ethenyl]-4-hydroxyoxan-2-one
CID 13553304
3-Fluoro-4'-heptyl[1,1'-biphenyl]-4-carboxylic acid
CID 15952017
2-Fluoro-4'-octyl[1,1'-biphenyl]-4-carboxylic acid
CID 15952019
2-Fluoro-4-(4-octylphenyl)benzoic acid
CID 25259041
Ethyl 3-hydroxy-3-phenylbutanoate
CID 220801
3-Hydroxy-3-phenylpentanoic acid
CID 297250
Lithium 4-hydroxy-4-(4-phenylphenyl)butanoate
CID 25178170
Lithium 4-hydroxy-4-[4-(2-phenylethyl)phenyl]butanoate
CID 25178171

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-fluoro-4-phenylphenyl)-3-hydroxybutanoate?
The IUPAC name of ethyl 3-(3-fluoro-4-phenylphenyl)-3-hydroxybutanoate (CID 54351158) is ethyl 3-(3-fluoro-4-phenylphenyl)-3-hydroxybutanoate.
What is the SMILES notation for ethyl 3-(3-fluoro-4-phenylphenyl)-3-hydroxybutanoate?
The canonical SMILES for ethyl 3-(3-fluoro-4-phenylphenyl)-3-hydroxybutanoate is CCOC(=O)CC(C)(O)c1ccc(-c2ccccc2)c(F)c1.
What is the InChIKey of ethyl 3-(3-fluoro-4-phenylphenyl)-3-hydroxybutanoate?
The InChIKey is UFWDBCSYAKTZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO3/c1-3-22-17(20)12-18(2,21)14-9-10-15(16(19)11-14)13-7-5-4-6-8-13/h4-11,21H,3,12H2,1-2H3.
What are the key properties of ethyl 3-(3-fluoro-4-phenylphenyl)-3-hydroxybutanoate?
ethyl 3-(3-fluoro-4-phenylphenyl)-3-hydroxybutanoate has a molecular weight of 302.35 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-fluoro-4-phenylphenyl)-3-hydroxybutanoate is sourced from PubChem (CID 54351158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).