4-(4-ethoxy-3-fluorophenyl)butanoic acid

C12H15FO3 — CID 95447270

IUPAC4-(4-ethoxy-3-fluorophenyl)butanoic acid
SMILESCCOc1ccc(CCCC(=O)O)cc1F
InChIInChI=1S/C12H15FO3/c1-2-16-11-7-6-9(8-10(11)13)4-3-5-12(14)15/h6-8H,2-5H2,1H3,(H,14,15)
InChIKeyRVQKXYGMKROJOL-UHFFFAOYSA-N
MW226.25 g/mol
LogP2.63
Rot. Bonds6

About 4-(4-ethoxy-3-fluorophenyl)butanoic acid

4-(4-ethoxy-3-fluorophenyl)butanoic acid (PubChem CID 95447270) has the molecular formula C12H15FO3 and a molecular weight of 226.25 g/mol. Its IUPAC name is 4-(4-ethoxy-3-fluorophenyl)butanoic acid.

Molecular Properties

Compound Name4-(4-ethoxy-3-fluorophenyl)butanoic acid
PubChem CID95447270
Molecular FormulaC12H15FO3
Molecular Weight226.25 g/mol
Exact Mass226.10
IUPAC Name4-(4-ethoxy-3-fluorophenyl)butanoic acid
SMILESCCOc1ccc(CCCC(=O)O)cc1F
InChIInChI=1S/C12H15FO3/c1-2-16-11-7-6-9(8-10(11)13)4-3-5-12(14)15/h6-8H,2-5H2,1H3,(H,14,15)
InChIKeyRVQKXYGMKROJOL-UHFFFAOYSA-N
XLogP2.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-ethoxy-3-methoxyphenyl)butanoic acid
CID 82265678
4-[(4-ethoxy-3-fluorophenyl)methylamino]butanoic acid
CID 115218613
4-[(4-ethoxy-3-fluorophenyl)methyl-methylamino]butanoic acid
CID 115218662
5-[(4-ethoxy-3-fluorophenyl)methylamino]pentanoic acid
CID 115219038
2-amino-5-(4-ethoxy-3-fluorophenyl)pentanoic acid
CID 115005524
3-[4-[(3-ethoxy-4-methylphenyl)methoxy]-3-fluorophenyl]propanoic acid
CID 23136391
4-(3-bromopropyl)-1-ethoxy-2-fluorobenzene
CID 118847164
4-[(4-ethoxy-3-fluorophenyl)methylamino]-4-oxobutanoic acid
CID 98033360
2-amino-4-(4-ethoxy-3-fluorophenyl)butanoic acid
CID 112518372
3-(3-chloro-4-ethoxyphenyl)propanoic acid
CID 82052851
1-(4-ethoxy-3-fluorophenyl)propan-2-one
CID 82491351
4-(4-ethoxy-3-fluoro-N-methylanilino)butanoic acid
CID 115218534

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxy-3-fluorophenyl)butanoic acid?
The IUPAC name of 4-(4-ethoxy-3-fluorophenyl)butanoic acid (CID 95447270) is 4-(4-ethoxy-3-fluorophenyl)butanoic acid.
What is the SMILES notation for 4-(4-ethoxy-3-fluorophenyl)butanoic acid?
The canonical SMILES for 4-(4-ethoxy-3-fluorophenyl)butanoic acid is CCOc1ccc(CCCC(=O)O)cc1F.
What is the InChIKey of 4-(4-ethoxy-3-fluorophenyl)butanoic acid?
The InChIKey is RVQKXYGMKROJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO3/c1-2-16-11-7-6-9(8-10(11)13)4-3-5-12(14)15/h6-8H,2-5H2,1H3,(H,14,15).
What are the key properties of 4-(4-ethoxy-3-fluorophenyl)butanoic acid?
4-(4-ethoxy-3-fluorophenyl)butanoic acid has a molecular weight of 226.25 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxy-3-fluorophenyl)butanoic acid is sourced from PubChem (CID 95447270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).