4-[2-fluoro-4-(methoxymethyl)phenyl]butanoic acid

C12H15FO3 — CID 117325374

IUPAC4-[2-fluoro-4-(methoxymethyl)phenyl]butanoic acid
SMILESCOCc1ccc(CCCC(=O)O)c(F)c1
InChIInChI=1S/C12H15FO3/c1-16-8-9-5-6-10(11(13)7-9)3-2-4-12(14)15/h5-7H,2-4,8H2,1H3,(H,14,15)
InChIKeyDEJYNURCKOGHFF-UHFFFAOYSA-N
MW226.25 g/mol
LogP2.38
Rot. Bonds6

About 4-[2-fluoro-4-(methoxymethyl)phenyl]butanoic acid

4-[2-fluoro-4-(methoxymethyl)phenyl]butanoic acid (PubChem CID 117325374) has the molecular formula C12H15FO3 and a molecular weight of 226.25 g/mol. Its IUPAC name is 4-[2-fluoro-4-(methoxymethyl)phenyl]butanoic acid.

Molecular Properties

Compound Name4-[2-fluoro-4-(methoxymethyl)phenyl]butanoic acid
PubChem CID117325374
Molecular FormulaC12H15FO3
Molecular Weight226.25 g/mol
Exact Mass226.10
IUPAC Name4-[2-fluoro-4-(methoxymethyl)phenyl]butanoic acid
SMILESCOCc1ccc(CCCC(=O)O)c(F)c1
InChIInChI=1S/C12H15FO3/c1-16-8-9-5-6-10(11(13)7-9)3-2-4-12(14)15/h5-7H,2-4,8H2,1H3,(H,14,15)
InChIKeyDEJYNURCKOGHFF-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[2-fluoro-4-(methoxymethyl)phenyl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-fluoro-5-(methoxymethyl)phenyl]butanoic acid
CID 117325377
4-(2-fluoro-4-hydroxyphenyl)butanoic acid
CID 83699430
4-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]butanoic acid
CID 117406092
4-(4-ethoxy-3-fluorophenyl)butanoic acid
CID 95447270
4-(2-fluoro-5-methylphenyl)butanoic acid
CID 83698985
5-(5-ethyl-2-fluorophenyl)pentanoic acid
CID 143472100
3-[3-chloro-4-(methoxymethyl)phenyl]propanoic acid
CID 117329480
5-(3-fluoro-4-methylphenyl)pentanoic acid
CID 169495010
4-(3-chloro-4-fluoro-2-methoxyphenyl)butanoic acid
CID 117369147
4-(3-fluoro-2-methoxy-5-methylphenyl)butanoic acid
CID 83892522
4-[2,5-dimethoxy-3-(methoxymethyl)phenyl]butanoic acid
CID 117424486
4-(3,5-difluoro-4-hydroxyphenyl)butanoic acid
CID 117307682

Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-4-(methoxymethyl)phenyl]butanoic acid?
The IUPAC name of 4-[2-fluoro-4-(methoxymethyl)phenyl]butanoic acid (CID 117325374) is 4-[2-fluoro-4-(methoxymethyl)phenyl]butanoic acid.
What is the SMILES notation for 4-[2-fluoro-4-(methoxymethyl)phenyl]butanoic acid?
The canonical SMILES for 4-[2-fluoro-4-(methoxymethyl)phenyl]butanoic acid is COCc1ccc(CCCC(=O)O)c(F)c1.
What is the InChIKey of 4-[2-fluoro-4-(methoxymethyl)phenyl]butanoic acid?
The InChIKey is DEJYNURCKOGHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO3/c1-16-8-9-5-6-10(11(13)7-9)3-2-4-12(14)15/h5-7H,2-4,8H2,1H3,(H,14,15).
What are the key properties of 4-[2-fluoro-4-(methoxymethyl)phenyl]butanoic acid?
4-[2-fluoro-4-(methoxymethyl)phenyl]butanoic acid has a molecular weight of 226.25 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-4-(methoxymethyl)phenyl]butanoic acid is sourced from PubChem (CID 117325374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).