2-[2-(4-methoxyphenyl)thiophen-3-yl]propanoic acid

C14H14O3S — CID 650172

IUPAC2-[2-(4-methoxyphenyl)thiophen-3-yl]propanoic acid
SMILESCOc1ccc(-c2sccc2C(C)C(=O)O)cc1
InChIInChI=1S/C14H14O3S/c1-9(14(15)16)12-7-8-18-13(12)10-3-5-11(17-2)6-4-10/h3-9H,1-2H3,(H,15,16)
InChIKeySDFFXHKBRZGJDW-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.61
Rot. Bonds4

About 2-[2-(4-methoxyphenyl)thiophen-3-yl]propanoic acid

2-[2-(4-methoxyphenyl)thiophen-3-yl]propanoic acid (PubChem CID 650172) has the molecular formula C14H14O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)thiophen-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)thiophen-3-yl]propanoic acid
PubChem CID650172
Molecular FormulaC14H14O3S
Molecular Weight262.33 g/mol
Exact Mass262.07
IUPAC Name2-[2-(4-methoxyphenyl)thiophen-3-yl]propanoic acid
SMILESCOc1ccc(-c2sccc2C(C)C(=O)O)cc1
InChIInChI=1S/C14H14O3S/c1-9(14(15)16)12-7-8-18-13(12)10-3-5-11(17-2)6-4-10/h3-9H,1-2H3,(H,15,16)
InChIKeySDFFXHKBRZGJDW-UHFFFAOYSA-N
XLogP3.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Methoxyphenyl)-4-cyano-5-(isopropylthio)thiophene-2-carboxylic acid (1j)
CID 71522036
2-(4-Methoxy-3-Thiophen-2-Yl-Phenyl)ethanoic Acid
CID 118703104
2-(4-Methoxy-3-Thiophen-3-Yl-Phenyl)ethanoic Acid
CID 118703105
3-(4-Butoxyphenyl)-3-(thiophen-2-yl)propanoic acid
CID 16737695
2-[5-(4-Methoxybenzoyl)-2-thienyl]acetic acid
CID 3509505
3-{2-[5-(2-Benzyloxy-phenyl)-thiophen-3-yl]-phenyl}-propionic acid
CID 10158725
3-{2-[4-(2-Benzyloxy-phenyl)-thiophen-2-yl]-phenyl}-propionic acid
CID 21362879
3-{2-[5-(2-Benzyloxy-phenyl)-thiophen-3-yl]-phenyl}-2-methyl-propionic acid
CID 21362905
3-(4-{[3-(Thiophen-2-yl)benzyl]oxy}phenyl)propanoic Acid
CID 23159951
(4-Methoxyphenyl)-2-thienylmethanone
CID 77812
4-(4-Methoxyphenyl)-5-methylthiophene-2-carboxylic acid
CID 3865966
5-(4-Methoxyphenyl)thiophene-2-carbaldehyde
CID 2797800

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)thiophen-3-yl]propanoic acid?
The IUPAC name of 2-[2-(4-methoxyphenyl)thiophen-3-yl]propanoic acid (CID 650172) is 2-[2-(4-methoxyphenyl)thiophen-3-yl]propanoic acid.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)thiophen-3-yl]propanoic acid?
The canonical SMILES for 2-[2-(4-methoxyphenyl)thiophen-3-yl]propanoic acid is COc1ccc(-c2sccc2C(C)C(=O)O)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)thiophen-3-yl]propanoic acid?
The InChIKey is SDFFXHKBRZGJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3S/c1-9(14(15)16)12-7-8-18-13(12)10-3-5-11(17-2)6-4-10/h3-9H,1-2H3,(H,15,16).
What are the key properties of 2-[2-(4-methoxyphenyl)thiophen-3-yl]propanoic acid?
2-[2-(4-methoxyphenyl)thiophen-3-yl]propanoic acid has a molecular weight of 262.33 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)thiophen-3-yl]propanoic acid is sourced from PubChem (CID 650172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).