3-[(5-chloro-2-fluorophenyl)methoxy]-5-propylthiophene-2-carboxylic acid

C15H14ClFO3S — CID 103046288

IUPAC3-[(5-chloro-2-fluorophenyl)methoxy]-5-propylthiophene-2-carboxylic acid
SMILESCCCc1cc(OCc2cc(Cl)ccc2F)c(C(=O)O)s1
InChIInChI=1S/C15H14ClFO3S/c1-2-3-11-7-13(14(21-11)15(18)19)20-8-9-6-10(16)4-5-12(9)17/h4-7H,2-3,8H2,1H3,(H,18,19)
InChIKeyCMMHAXNMTSSFQG-UHFFFAOYSA-N
MW328.79 g/mol
LogP4.77
Rot. Bonds6

About 3-[(5-chloro-2-fluorophenyl)methoxy]-5-propylthiophene-2-carboxylic acid

3-[(5-chloro-2-fluorophenyl)methoxy]-5-propylthiophene-2-carboxylic acid (PubChem CID 103046288) has the molecular formula C15H14ClFO3S and a molecular weight of 328.79 g/mol. Its IUPAC name is 3-[(5-chloro-2-fluorophenyl)methoxy]-5-propylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(5-chloro-2-fluorophenyl)methoxy]-5-propylthiophene-2-carboxylic acid
PubChem CID103046288
Molecular FormulaC15H14ClFO3S
Molecular Weight328.79 g/mol
Exact Mass328.03
IUPAC Name3-[(5-chloro-2-fluorophenyl)methoxy]-5-propylthiophene-2-carboxylic acid
SMILESCCCc1cc(OCc2cc(Cl)ccc2F)c(C(=O)O)s1
InChIInChI=1S/C15H14ClFO3S/c1-2-3-11-7-13(14(21-11)15(18)19)20-8-9-6-10(16)4-5-12(9)17/h4-7H,2-3,8H2,1H3,(H,18,19)
InChIKeyCMMHAXNMTSSFQG-UHFFFAOYSA-N
XLogP4.77
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.79
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-fluorophenyl)methoxy]-5-propylthiophene-2-carboxylic acid?
The IUPAC name of 3-[(5-chloro-2-fluorophenyl)methoxy]-5-propylthiophene-2-carboxylic acid (CID 103046288) is 3-[(5-chloro-2-fluorophenyl)methoxy]-5-propylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(5-chloro-2-fluorophenyl)methoxy]-5-propylthiophene-2-carboxylic acid?
The canonical SMILES for 3-[(5-chloro-2-fluorophenyl)methoxy]-5-propylthiophene-2-carboxylic acid is CCCc1cc(OCc2cc(Cl)ccc2F)c(C(=O)O)s1.
What is the InChIKey of 3-[(5-chloro-2-fluorophenyl)methoxy]-5-propylthiophene-2-carboxylic acid?
The InChIKey is CMMHAXNMTSSFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFO3S/c1-2-3-11-7-13(14(21-11)15(18)19)20-8-9-6-10(16)4-5-12(9)17/h4-7H,2-3,8H2,1H3,(H,18,19).
What are the key properties of 3-[(5-chloro-2-fluorophenyl)methoxy]-5-propylthiophene-2-carboxylic acid?
3-[(5-chloro-2-fluorophenyl)methoxy]-5-propylthiophene-2-carboxylic acid has a molecular weight of 328.79 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-fluorophenyl)methoxy]-5-propylthiophene-2-carboxylic acid is sourced from PubChem (CID 103046288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).