4-(2-ethyl-5-fluoro-3-methoxy-4-methylphenyl)butanoic acid

C14H19FO3 — CID 117389136

IUPAC4-(2-ethyl-5-fluoro-3-methoxy-4-methylphenyl)butanoic acid
SMILESCCc1c(CCCC(=O)O)cc(F)c(C)c1OC
InChIInChI=1S/C14H19FO3/c1-4-11-10(6-5-7-13(16)17)8-12(15)9(2)14(11)18-3/h8H,4-7H2,1-3H3,(H,16,17)
InChIKeyZOZAEHHIRWOHRK-UHFFFAOYSA-N
MW254.30 g/mol
LogP3.11
Rot. Bonds6

About 4-(2-ethyl-5-fluoro-3-methoxy-4-methylphenyl)butanoic acid

4-(2-ethyl-5-fluoro-3-methoxy-4-methylphenyl)butanoic acid (PubChem CID 117389136) has the molecular formula C14H19FO3 and a molecular weight of 254.30 g/mol. Its IUPAC name is 4-(2-ethyl-5-fluoro-3-methoxy-4-methylphenyl)butanoic acid.

Molecular Properties

Compound Name4-(2-ethyl-5-fluoro-3-methoxy-4-methylphenyl)butanoic acid
PubChem CID117389136
Molecular FormulaC14H19FO3
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name4-(2-ethyl-5-fluoro-3-methoxy-4-methylphenyl)butanoic acid
SMILESCCc1c(CCCC(=O)O)cc(F)c(C)c1OC
InChIInChI=1S/C14H19FO3/c1-4-11-10(6-5-7-13(16)17)8-12(15)9(2)14(11)18-3/h8H,4-7H2,1-3H3,(H,16,17)
InChIKeyZOZAEHHIRWOHRK-UHFFFAOYSA-N
XLogP3.11
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-fluoro-2-methoxy-5-methylphenyl)butanoic acid
CID 83892522
4-(3,4-dimethoxy-2,5-dimethylphenyl)butanoic acid
CID 117383909
4-(4-chloro-2-fluoro-3-methoxy-5-methylphenyl)butanoic acid
CID 117406095
4-(3-chloro-4-fluoro-2-methoxyphenyl)butanoic acid
CID 117369147
4-(6-bromo-3-fluoro-2-methoxyphenyl)butanoic acid
CID 117470024
1-[2-(2-ethyl-5-fluoro-3-methoxy-4-methylphenyl)ethyl]piperazine
CID 117450445
3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propanoic acid
CID 22943714
5-(3-carboxypropyl)-3-fluoro-2-methoxybenzoic acid
CID 117393487
5-(2-ethyl-5-fluoro-3-methoxy-4-methylphenyl)pyrrolidine-3-carboxylic acid
CID 117451423
4-(2-fluoro-5-methylphenyl)butanoic acid
CID 83698985
3-(4-fluoro-2,5-dimethoxy-3,6-dimethylphenyl)propanoic acid
CID 117393987
4-(2,3-dimethoxy-4-methylsulfanylphenyl)butanoic acid
CID 117429231

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-5-fluoro-3-methoxy-4-methylphenyl)butanoic acid?
The IUPAC name of 4-(2-ethyl-5-fluoro-3-methoxy-4-methylphenyl)butanoic acid (CID 117389136) is 4-(2-ethyl-5-fluoro-3-methoxy-4-methylphenyl)butanoic acid.
What is the SMILES notation for 4-(2-ethyl-5-fluoro-3-methoxy-4-methylphenyl)butanoic acid?
The canonical SMILES for 4-(2-ethyl-5-fluoro-3-methoxy-4-methylphenyl)butanoic acid is CCc1c(CCCC(=O)O)cc(F)c(C)c1OC.
What is the InChIKey of 4-(2-ethyl-5-fluoro-3-methoxy-4-methylphenyl)butanoic acid?
The InChIKey is ZOZAEHHIRWOHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO3/c1-4-11-10(6-5-7-13(16)17)8-12(15)9(2)14(11)18-3/h8H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 4-(2-ethyl-5-fluoro-3-methoxy-4-methylphenyl)butanoic acid?
4-(2-ethyl-5-fluoro-3-methoxy-4-methylphenyl)butanoic acid has a molecular weight of 254.30 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-5-fluoro-3-methoxy-4-methylphenyl)butanoic acid is sourced from PubChem (CID 117389136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).