5-ethoxy-2-[(3-fluorophenyl)methyl]-4-hydroxypentanoic acid

C14H19FO4 — CID 79418064

IUPAC5-ethoxy-2-[(3-fluorophenyl)methyl]-4-hydroxypentanoic acid
SMILESCCOCC(O)CC(Cc1cccc(F)c1)C(=O)O
InChIInChI=1S/C14H19FO4/c1-2-19-9-13(16)8-11(14(17)18)6-10-4-3-5-12(15)7-10/h3-5,7,11,13,16H,2,6,8-9H2,1H3,(H,17,18)
InChIKeyZZQZVMFTNKLELB-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.86
Rot. Bonds8

About 5-ethoxy-2-[(3-fluorophenyl)methyl]-4-hydroxypentanoic acid

5-ethoxy-2-[(3-fluorophenyl)methyl]-4-hydroxypentanoic acid (PubChem CID 79418064) has the molecular formula C14H19FO4 and a molecular weight of 270.30 g/mol. Its IUPAC name is 5-ethoxy-2-[(3-fluorophenyl)methyl]-4-hydroxypentanoic acid.

Molecular Properties

Compound Name5-ethoxy-2-[(3-fluorophenyl)methyl]-4-hydroxypentanoic acid
PubChem CID79418064
Molecular FormulaC14H19FO4
Molecular Weight270.30 g/mol
Exact Mass270.13
IUPAC Name5-ethoxy-2-[(3-fluorophenyl)methyl]-4-hydroxypentanoic acid
SMILESCCOCC(O)CC(Cc1cccc(F)c1)C(=O)O
InChIInChI=1S/C14H19FO4/c1-2-19-9-13(16)8-11(14(17)18)6-10-4-3-5-12(15)7-10/h3-5,7,11,13,16H,2,6,8-9H2,1H3,(H,17,18)
InChIKeyZZQZVMFTNKLELB-UHFFFAOYSA-N
XLogP1.86
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)methyl]-5-ethoxy-4-hydroxypentanoic acid
CID 79418787
(2R)-2-[(3-fluorophenyl)methyl]butanedioic acid
CID 96723137
4-hydroxy-2-[(3-methoxyphenyl)methyl]-5-propan-2-yloxypentanoic acid
CID 79422074
2-[(3-fluorophenyl)methyl]-4-(2,2,2-trifluoroethoxy)butanoic acid
CID 61490337
disodium;2-[(3-fluorophenyl)methyl]propanedioic acid;hydride
CID 174597525
2-[(3-fluorophenyl)methyl]hex-5-ynoic acid
CID 79418723
4-(3-fluorophenyl)-2,3-dimethylbutanoic acid
CID 81008506
2-(diethylamino)-3-(3-fluorophenyl)propanoic acid
CID 83969897
(2R)-1-ethoxy-3-[(2R)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]propan-2-ol
CID 95626124
2-(cyclopentylmethyl)-3-(3-fluorophenyl)propanoic acid
CID 61343576
2-(ethoxymethyl)-N-ethyl-3-(3-fluorophenyl)propan-1-amine
CID 103984333
(2R)-1-(3-fluorophenyl)pentan-2-ol
CID 89187255

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-[(3-fluorophenyl)methyl]-4-hydroxypentanoic acid?
The IUPAC name of 5-ethoxy-2-[(3-fluorophenyl)methyl]-4-hydroxypentanoic acid (CID 79418064) is 5-ethoxy-2-[(3-fluorophenyl)methyl]-4-hydroxypentanoic acid.
What is the SMILES notation for 5-ethoxy-2-[(3-fluorophenyl)methyl]-4-hydroxypentanoic acid?
The canonical SMILES for 5-ethoxy-2-[(3-fluorophenyl)methyl]-4-hydroxypentanoic acid is CCOCC(O)CC(Cc1cccc(F)c1)C(=O)O.
What is the InChIKey of 5-ethoxy-2-[(3-fluorophenyl)methyl]-4-hydroxypentanoic acid?
The InChIKey is ZZQZVMFTNKLELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO4/c1-2-19-9-13(16)8-11(14(17)18)6-10-4-3-5-12(15)7-10/h3-5,7,11,13,16H,2,6,8-9H2,1H3,(H,17,18).
What are the key properties of 5-ethoxy-2-[(3-fluorophenyl)methyl]-4-hydroxypentanoic acid?
5-ethoxy-2-[(3-fluorophenyl)methyl]-4-hydroxypentanoic acid has a molecular weight of 270.30 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-[(3-fluorophenyl)methyl]-4-hydroxypentanoic acid is sourced from PubChem (CID 79418064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).