3-[5-(3-fluoro-4-methoxyphenyl)thiophen-2-yl]butanoic acid

C15H15FO3S — CID 82543076

IUPAC3-[5-(3-fluoro-4-methoxyphenyl)thiophen-2-yl]butanoic acid
SMILESCOc1ccc(-c2ccc(C(C)CC(=O)O)s2)cc1F
InChIInChI=1S/C15H15FO3S/c1-9(7-15(17)18)13-5-6-14(20-13)10-3-4-12(19-2)11(16)8-10/h3-6,8-9H,7H2,1-2H3,(H,17,18)
InChIKeyYOOPIHRYSFBUMP-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.14
Rot. Bonds5

About 3-[5-(3-fluoro-4-methoxyphenyl)thiophen-2-yl]butanoic acid

3-[5-(3-fluoro-4-methoxyphenyl)thiophen-2-yl]butanoic acid (PubChem CID 82543076) has the molecular formula C15H15FO3S and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-[5-(3-fluoro-4-methoxyphenyl)thiophen-2-yl]butanoic acid.

Molecular Properties

Compound Name3-[5-(3-fluoro-4-methoxyphenyl)thiophen-2-yl]butanoic acid
PubChem CID82543076
Molecular FormulaC15H15FO3S
Molecular Weight294.35 g/mol
Exact Mass294.07
IUPAC Name3-[5-(3-fluoro-4-methoxyphenyl)thiophen-2-yl]butanoic acid
SMILESCOc1ccc(-c2ccc(C(C)CC(=O)O)s2)cc1F
InChIInChI=1S/C15H15FO3S/c1-9(7-15(17)18)13-5-6-14(20-13)10-3-4-12(19-2)11(16)8-10/h3-6,8-9H,7H2,1-2H3,(H,17,18)
InChIKeyYOOPIHRYSFBUMP-UHFFFAOYSA-N
XLogP4.14
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-3-[5-(3-fluoro-4-methoxyphenyl)thiophen-2-yl]but-2-enoic acid
CID 82543862
4,4,4-trifluoro-3-(3-fluoro-4-methoxyphenyl)butanoic acid
CID 65101258
2-(3-fluoro-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 98032866
3-(6-fluoro-3-methoxy-2-methylphenyl)butanoic acid
CID 84690415
2-[[5-(3-fluoro-4-propan-2-yloxyphenyl)thiophene-2-carbonyl]amino]acetic acid
CID 167771866
2-(3-fluoro-4-methoxyphenyl)-5-(3-fluoro-5-methoxyphenyl)thiophene
CID 44543106
4-(3-fluoro-4-methoxyanilino)-3-methyl-4-oxobutanoic acid
CID 115164433
4-(3-fluoro-4-methoxyphenyl)-2-methoxybenzoic acid
CID 53226547
5-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-3-methyl-5-oxopentanoic acid
CID 62966105
2-[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-oxazol-5-yl]acetic acid
CID 82133676
3-[3-(2-fluorophenyl)-4-methoxyphenyl]butanoic acid
CID 82543265
(3R)-3-acetamido-3-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 104941201

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-fluoro-4-methoxyphenyl)thiophen-2-yl]butanoic acid?
The IUPAC name of 3-[5-(3-fluoro-4-methoxyphenyl)thiophen-2-yl]butanoic acid (CID 82543076) is 3-[5-(3-fluoro-4-methoxyphenyl)thiophen-2-yl]butanoic acid.
What is the SMILES notation for 3-[5-(3-fluoro-4-methoxyphenyl)thiophen-2-yl]butanoic acid?
The canonical SMILES for 3-[5-(3-fluoro-4-methoxyphenyl)thiophen-2-yl]butanoic acid is COc1ccc(-c2ccc(C(C)CC(=O)O)s2)cc1F.
What is the InChIKey of 3-[5-(3-fluoro-4-methoxyphenyl)thiophen-2-yl]butanoic acid?
The InChIKey is YOOPIHRYSFBUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FO3S/c1-9(7-15(17)18)13-5-6-14(20-13)10-3-4-12(19-2)11(16)8-10/h3-6,8-9H,7H2,1-2H3,(H,17,18).
What are the key properties of 3-[5-(3-fluoro-4-methoxyphenyl)thiophen-2-yl]butanoic acid?
3-[5-(3-fluoro-4-methoxyphenyl)thiophen-2-yl]butanoic acid has a molecular weight of 294.35 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-fluoro-4-methoxyphenyl)thiophen-2-yl]butanoic acid is sourced from PubChem (CID 82543076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).