3-cyclopropyl-3-(4-ethoxy-2-fluorophenyl)propanoic acid

C14H17FO3 — CID 117383667

IUPAC3-cyclopropyl-3-(4-ethoxy-2-fluorophenyl)propanoic acid
SMILESCCOc1ccc(C(CC(=O)O)C2CC2)c(F)c1
InChIInChI=1S/C14H17FO3/c1-2-18-10-5-6-11(13(15)7-10)12(8-14(16)17)9-3-4-9/h5-7,9,12H,2-4,8H2,1H3,(H,16,17)
InChIKeyCLHBCHZMDMRORM-UHFFFAOYSA-N
MW252.28 g/mol
LogP3.19
Rot. Bonds6

About 3-cyclopropyl-3-(4-ethoxy-2-fluorophenyl)propanoic acid

3-cyclopropyl-3-(4-ethoxy-2-fluorophenyl)propanoic acid (PubChem CID 117383667) has the molecular formula C14H17FO3 and a molecular weight of 252.28 g/mol. Its IUPAC name is 3-cyclopropyl-3-(4-ethoxy-2-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-(4-ethoxy-2-fluorophenyl)propanoic acid
PubChem CID117383667
Molecular FormulaC14H17FO3
Molecular Weight252.28 g/mol
Exact Mass252.12
IUPAC Name3-cyclopropyl-3-(4-ethoxy-2-fluorophenyl)propanoic acid
SMILESCCOc1ccc(C(CC(=O)O)C2CC2)c(F)c1
InChIInChI=1S/C14H17FO3/c1-2-18-10-5-6-11(13(15)7-10)12(8-14(16)17)9-3-4-9/h5-7,9,12H,2-4,8H2,1H3,(H,16,17)
InChIKeyCLHBCHZMDMRORM-UHFFFAOYSA-N
XLogP3.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-3-(5-ethyl-2,4-difluorophenyl)propanoic acid
CID 117388767
3-cyclopropyl-3-(2,5-difluoro-4-methylsulfanylphenyl)propanoic acid
CID 117433647
3-cyclopropyl-3-(2,6-difluoro-4-methoxyphenyl)propanoic acid
CID 117393615
3-cyclopropyl-3-(4-fluoro-2-methoxy-3-methylphenyl)propanoic acid
CID 117383677
2-amino-2-(4-ethoxy-2-fluorophenyl)acetic acid
CID 84679537
3-cyclopropyl-3-(4-fluoro-2-methoxy-5-methylphenyl)propanoic acid
CID 117383658
2-(2-carboxy-1-cyclopropylethyl)-5-fluorobenzoic acid
CID 117383305
3-cyclopropyl-3-(4-methoxy-2,3-dimethylphenyl)propanoic acid
CID 82296370
3-(4-chloro-2-methoxyphenyl)-3-cyclopropylpropanoic acid
CID 117389818
3-cyclopropyl-3-(3-fluoro-2-hydroxyphenyl)propanoic acid
CID 117321662
3-cyclopropyl-3-(5-fluoro-2-hydroxyphenyl)propanoic acid
CID 117321663
methyl 2-(4-ethoxy-2-fluorophenyl)-2-hydroxyacetate
CID 117328401

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(4-ethoxy-2-fluorophenyl)propanoic acid?
The IUPAC name of 3-cyclopropyl-3-(4-ethoxy-2-fluorophenyl)propanoic acid (CID 117383667) is 3-cyclopropyl-3-(4-ethoxy-2-fluorophenyl)propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-(4-ethoxy-2-fluorophenyl)propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-(4-ethoxy-2-fluorophenyl)propanoic acid is CCOc1ccc(C(CC(=O)O)C2CC2)c(F)c1.
What is the InChIKey of 3-cyclopropyl-3-(4-ethoxy-2-fluorophenyl)propanoic acid?
The InChIKey is CLHBCHZMDMRORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO3/c1-2-18-10-5-6-11(13(15)7-10)12(8-14(16)17)9-3-4-9/h5-7,9,12H,2-4,8H2,1H3,(H,16,17).
What are the key properties of 3-cyclopropyl-3-(4-ethoxy-2-fluorophenyl)propanoic acid?
3-cyclopropyl-3-(4-ethoxy-2-fluorophenyl)propanoic acid has a molecular weight of 252.28 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(4-ethoxy-2-fluorophenyl)propanoic acid is sourced from PubChem (CID 117383667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).