3-[2-fluoro-4-[(5-formyl-4-methoxythiophen-2-yl)methoxy]phenyl]propanoic acid

C16H15FO5S — CID 141296713

IUPAC3-[2-fluoro-4-[(5-formyl-4-methoxythiophen-2-yl)methoxy]phenyl]propanoic acid
SMILESCOc1cc(COc2ccc(CCC(=O)O)c(F)c2)sc1C=O
InChIInChI=1S/C16H15FO5S/c1-21-14-7-12(23-15(14)8-18)9-22-11-4-2-10(13(17)6-11)3-5-16(19)20/h2,4,6-8H,3,5,9H2,1H3,(H,19,20)
InChIKeyVUXYWYLPLHNIBI-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.30
Rot. Bonds8

About 3-[2-fluoro-4-[(5-formyl-4-methoxythiophen-2-yl)methoxy]phenyl]propanoic acid

3-[2-fluoro-4-[(5-formyl-4-methoxythiophen-2-yl)methoxy]phenyl]propanoic acid (PubChem CID 141296713) has the molecular formula C16H15FO5S and a molecular weight of 338.36 g/mol. Its IUPAC name is 3-[2-fluoro-4-[(5-formyl-4-methoxythiophen-2-yl)methoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-fluoro-4-[(5-formyl-4-methoxythiophen-2-yl)methoxy]phenyl]propanoic acid
PubChem CID141296713
Molecular FormulaC16H15FO5S
Molecular Weight338.36 g/mol
Exact Mass338.06
IUPAC Name3-[2-fluoro-4-[(5-formyl-4-methoxythiophen-2-yl)methoxy]phenyl]propanoic acid
SMILESCOc1cc(COc2ccc(CCC(=O)O)c(F)c2)sc1C=O
InChIInChI=1S/C16H15FO5S/c1-21-14-7-12(23-15(14)8-18)9-22-11-4-2-10(13(17)6-11)3-5-16(19)20/h2,4,6-8H,3,5,9H2,1H3,(H,19,20)
InChIKeyVUXYWYLPLHNIBI-UHFFFAOYSA-N
XLogP3.30
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 3-[2-fluoro-4-[(5-formyl-4-methoxythiophen-2-yl)methoxy]phenyl]propanoic 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

3-(4-ethoxy-2-methoxyphenyl)propanoic acid
CID 97034664
3-[4-[(5-formyl-2-methoxyphenyl)methoxy]phenyl]propanoic acid
CID 4195976
3-[2-fluoro-4-[[3-methoxy-4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]phenyl]propanoic acid
CID 123472115
3-(2-fluoro-5-methoxyphenyl)propanoic acid
CID 83402634
4-(3-fluoro-4-methoxyphenoxy)butanoic acid
CID 14661621
3-[2-hydroxy-4-(2-methoxyethoxy)phenyl]propanoic acid
CID 67735917
3-[2-fluoro-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoic acid
CID 56640142
3-[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluorophenyl]methoxy]-2-fluorophenyl]propanoic acid
CID 127045659
2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid
CID 107675360
3-[2-fluoro-4-[[3-(2,4,6-trimethylphenyl)phenyl]methoxy]phenyl]propanoic acid
CID 58903194
3-(4-fluoro-5-hydroxy-2-methoxyphenyl)propanoic acid
CID 117304993
3-(2,4-difluorophenyl)propanoic acid;hydrochloride
CID 175907360

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-4-[(5-formyl-4-methoxythiophen-2-yl)methoxy]phenyl]propanoic acid?
The IUPAC name of 3-[2-fluoro-4-[(5-formyl-4-methoxythiophen-2-yl)methoxy]phenyl]propanoic acid (CID 141296713) is 3-[2-fluoro-4-[(5-formyl-4-methoxythiophen-2-yl)methoxy]phenyl]propanoic acid.
What is the SMILES notation for 3-[2-fluoro-4-[(5-formyl-4-methoxythiophen-2-yl)methoxy]phenyl]propanoic acid?
The canonical SMILES for 3-[2-fluoro-4-[(5-formyl-4-methoxythiophen-2-yl)methoxy]phenyl]propanoic acid is COc1cc(COc2ccc(CCC(=O)O)c(F)c2)sc1C=O.
What is the InChIKey of 3-[2-fluoro-4-[(5-formyl-4-methoxythiophen-2-yl)methoxy]phenyl]propanoic acid?
The InChIKey is VUXYWYLPLHNIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO5S/c1-21-14-7-12(23-15(14)8-18)9-22-11-4-2-10(13(17)6-11)3-5-16(19)20/h2,4,6-8H,3,5,9H2,1H3,(H,19,20).
What are the key properties of 3-[2-fluoro-4-[(5-formyl-4-methoxythiophen-2-yl)methoxy]phenyl]propanoic acid?
3-[2-fluoro-4-[(5-formyl-4-methoxythiophen-2-yl)methoxy]phenyl]propanoic acid has a molecular weight of 338.36 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-4-[(5-formyl-4-methoxythiophen-2-yl)methoxy]phenyl]propanoic acid is sourced from PubChem (CID 141296713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).