3-phenylmethoxythiophene-2-carboxylic acid

C12H10O3S — CID 2766733

IUPAC3-phenylmethoxythiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1OCc1ccccc1
InChIInChI=1S/C12H10O3S/c13-12(14)11-10(6-7-16-11)15-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,13,14)
InChIKeyHUEDDFOWAJIHBA-UHFFFAOYSA-N
MW234.28 g/mol
LogP3.03
Rot. Bonds4

About 3-phenylmethoxythiophene-2-carboxylic acid

3-phenylmethoxythiophene-2-carboxylic acid (PubChem CID 2766733) has the molecular formula C12H10O3S and a molecular weight of 234.28 g/mol. Its IUPAC name is 3-phenylmethoxythiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-phenylmethoxythiophene-2-carboxylic acid
PubChem CID2766733
Molecular FormulaC12H10O3S
Molecular Weight234.28 g/mol
Exact Mass234.04
IUPAC Name3-phenylmethoxythiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1OCc1ccccc1
InChIInChI=1S/C12H10O3S/c13-12(14)11-10(6-7-16-11)15-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,13,14)
InChIKeyHUEDDFOWAJIHBA-UHFFFAOYSA-N
XLogP3.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxythiophene-2-carboxylic acid?
The IUPAC name of 3-phenylmethoxythiophene-2-carboxylic acid (CID 2766733) is 3-phenylmethoxythiophene-2-carboxylic acid.
What is the SMILES notation for 3-phenylmethoxythiophene-2-carboxylic acid?
The canonical SMILES for 3-phenylmethoxythiophene-2-carboxylic acid is O=C(O)c1sccc1OCc1ccccc1.
What is the InChIKey of 3-phenylmethoxythiophene-2-carboxylic acid?
The InChIKey is HUEDDFOWAJIHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3S/c13-12(14)11-10(6-7-16-11)15-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,13,14).
What are the key properties of 3-phenylmethoxythiophene-2-carboxylic acid?
3-phenylmethoxythiophene-2-carboxylic acid has a molecular weight of 234.28 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxythiophene-2-carboxylic acid is sourced from PubChem (CID 2766733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).