4-[(3-fluorophenyl)methoxy]thiophene-2-carboxylic acid

C12H9FO3S — CID 66436226

IUPAC4-[(3-fluorophenyl)methoxy]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(OCc2cccc(F)c2)cs1
InChIInChI=1S/C12H9FO3S/c13-9-3-1-2-8(4-9)6-16-10-5-11(12(14)15)17-7-10/h1-5,7H,6H2,(H,14,15)
InChIKeyUPPINUJIACYWSX-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.16
Rot. Bonds4

About 4-[(3-fluorophenyl)methoxy]thiophene-2-carboxylic acid

4-[(3-fluorophenyl)methoxy]thiophene-2-carboxylic acid (PubChem CID 66436226) has the molecular formula C12H9FO3S and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methoxy]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methoxy]thiophene-2-carboxylic acid
PubChem CID66436226
Molecular FormulaC12H9FO3S
Molecular Weight252.27 g/mol
Exact Mass252.03
IUPAC Name4-[(3-fluorophenyl)methoxy]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(OCc2cccc(F)c2)cs1
InChIInChI=1S/C12H9FO3S/c13-9-3-1-2-8(4-9)6-16-10-5-11(12(14)15)17-7-10/h1-5,7H,6H2,(H,14,15)
InChIKeyUPPINUJIACYWSX-UHFFFAOYSA-N
XLogP3.16
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methoxy]thiophene-2-carboxylic acid?
The IUPAC name of 4-[(3-fluorophenyl)methoxy]thiophene-2-carboxylic acid (CID 66436226) is 4-[(3-fluorophenyl)methoxy]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(3-fluorophenyl)methoxy]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[(3-fluorophenyl)methoxy]thiophene-2-carboxylic acid is O=C(O)c1cc(OCc2cccc(F)c2)cs1.
What is the InChIKey of 4-[(3-fluorophenyl)methoxy]thiophene-2-carboxylic acid?
The InChIKey is UPPINUJIACYWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FO3S/c13-9-3-1-2-8(4-9)6-16-10-5-11(12(14)15)17-7-10/h1-5,7H,6H2,(H,14,15).
What are the key properties of 4-[(3-fluorophenyl)methoxy]thiophene-2-carboxylic acid?
4-[(3-fluorophenyl)methoxy]thiophene-2-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methoxy]thiophene-2-carboxylic acid is sourced from PubChem (CID 66436226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).