2-(4-methoxy-3-thiophen-3-ylphenyl)acetic acid

C13H12O3S — CID 118703105

IUPAC2-(4-methoxy-3-thiophen-3-ylphenyl)acetic acid
SMILESCOc1ccc(CC(=O)O)cc1-c1ccsc1
InChIInChI=1S/C13H12O3S/c1-16-12-3-2-9(7-13(14)15)6-11(12)10-4-5-17-8-10/h2-6,8H,7H2,1H3,(H,14,15)
InChIKeyJRNVDXIGCSDEEN-UHFFFAOYSA-N
MW248.30 g/mol
LogP3.05
Rot. Bonds4

About 2-(4-methoxy-3-thiophen-3-ylphenyl)acetic acid

2-(4-methoxy-3-thiophen-3-ylphenyl)acetic acid (PubChem CID 118703105) has the molecular formula C13H12O3S and a molecular weight of 248.30 g/mol. Its IUPAC name is 2-(4-methoxy-3-thiophen-3-ylphenyl)acetic acid.

Molecular Properties

Compound Name2-(4-methoxy-3-thiophen-3-ylphenyl)acetic acid
PubChem CID118703105
Molecular FormulaC13H12O3S
Molecular Weight248.30 g/mol
Exact Mass248.05
IUPAC Name2-(4-methoxy-3-thiophen-3-ylphenyl)acetic acid
SMILESCOc1ccc(CC(=O)O)cc1-c1ccsc1
InChIInChI=1S/C13H12O3S/c1-16-12-3-2-9(7-13(14)15)6-11(12)10-4-5-17-8-10/h2-6,8H,7H2,1H3,(H,14,15)
InChIKeyJRNVDXIGCSDEEN-UHFFFAOYSA-N
XLogP3.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-thiophen-3-ylphenyl)acetic acid?
The IUPAC name of 2-(4-methoxy-3-thiophen-3-ylphenyl)acetic acid (CID 118703105) is 2-(4-methoxy-3-thiophen-3-ylphenyl)acetic acid.
What is the SMILES notation for 2-(4-methoxy-3-thiophen-3-ylphenyl)acetic acid?
The canonical SMILES for 2-(4-methoxy-3-thiophen-3-ylphenyl)acetic acid is COc1ccc(CC(=O)O)cc1-c1ccsc1.
What is the InChIKey of 2-(4-methoxy-3-thiophen-3-ylphenyl)acetic acid?
The InChIKey is JRNVDXIGCSDEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3S/c1-16-12-3-2-9(7-13(14)15)6-11(12)10-4-5-17-8-10/h2-6,8H,7H2,1H3,(H,14,15).
What are the key properties of 2-(4-methoxy-3-thiophen-3-ylphenyl)acetic acid?
2-(4-methoxy-3-thiophen-3-ylphenyl)acetic acid has a molecular weight of 248.30 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-thiophen-3-ylphenyl)acetic acid is sourced from PubChem (CID 118703105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).