4-[(5-chloro-2-fluorophenyl)methoxy]thiophene-2-carboxylic acid

C12H8ClFO3S — CID 103046291

IUPAC4-[(5-chloro-2-fluorophenyl)methoxy]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(OCc2cc(Cl)ccc2F)cs1
InChIInChI=1S/C12H8ClFO3S/c13-8-1-2-10(14)7(3-8)5-17-9-4-11(12(15)16)18-6-9/h1-4,6H,5H2,(H,15,16)
InChIKeyHUQZQBOFGCBIAX-UHFFFAOYSA-N
MW286.71 g/mol
LogP3.82
Rot. Bonds4

About 4-[(5-chloro-2-fluorophenyl)methoxy]thiophene-2-carboxylic acid

4-[(5-chloro-2-fluorophenyl)methoxy]thiophene-2-carboxylic acid (PubChem CID 103046291) has the molecular formula C12H8ClFO3S and a molecular weight of 286.71 g/mol. Its IUPAC name is 4-[(5-chloro-2-fluorophenyl)methoxy]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(5-chloro-2-fluorophenyl)methoxy]thiophene-2-carboxylic acid
PubChem CID103046291
Molecular FormulaC12H8ClFO3S
Molecular Weight286.71 g/mol
Exact Mass285.99
IUPAC Name4-[(5-chloro-2-fluorophenyl)methoxy]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(OCc2cc(Cl)ccc2F)cs1
InChIInChI=1S/C12H8ClFO3S/c13-8-1-2-10(14)7(3-8)5-17-9-4-11(12(15)16)18-6-9/h1-4,6H,5H2,(H,15,16)
InChIKeyHUQZQBOFGCBIAX-UHFFFAOYSA-N
XLogP3.82
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.71
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-chloro-2-fluorophenyl)methoxy]benzoic acid
CID 103046268
4-[(2-bromo-4-fluorophenyl)methoxy]thiophene-2-carboxylic acid
CID 66437354
4-[2-(3-chlorophenoxy)ethoxy]thiophene-2-carboxylic acid
CID 66437353
4-[(4-chlorophenoxy)methyl]thiophene-2-carboxylic acid
CID 19620576
4-[(5-chloro-2-fluorophenyl)methylsulfanyl]thiophene-2-carboxylic acid
CID 103046320
4-(naphthalen-1-ylmethoxy)thiophene-2-carboxylic acid
CID 66436693
4-[(3-fluoro-4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid
CID 66437759
4-[2-(4-chloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid
CID 66439098
4-[(4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid
CID 66436440
4-[(5-ethylthiophen-2-yl)methoxy]thiophene-2-carboxylic acid
CID 66436704
4-[(2-methylquinolin-4-yl)methoxy]thiophene-2-carboxylic acid
CID 79234546
2-[(5-chloro-2-fluorophenyl)methoxy]-5-methoxybenzoic acid
CID 103046283

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-fluorophenyl)methoxy]thiophene-2-carboxylic acid?
The IUPAC name of 4-[(5-chloro-2-fluorophenyl)methoxy]thiophene-2-carboxylic acid (CID 103046291) is 4-[(5-chloro-2-fluorophenyl)methoxy]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(5-chloro-2-fluorophenyl)methoxy]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[(5-chloro-2-fluorophenyl)methoxy]thiophene-2-carboxylic acid is O=C(O)c1cc(OCc2cc(Cl)ccc2F)cs1.
What is the InChIKey of 4-[(5-chloro-2-fluorophenyl)methoxy]thiophene-2-carboxylic acid?
The InChIKey is HUQZQBOFGCBIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFO3S/c13-8-1-2-10(14)7(3-8)5-17-9-4-11(12(15)16)18-6-9/h1-4,6H,5H2,(H,15,16).
What are the key properties of 4-[(5-chloro-2-fluorophenyl)methoxy]thiophene-2-carboxylic acid?
4-[(5-chloro-2-fluorophenyl)methoxy]thiophene-2-carboxylic acid has a molecular weight of 286.71 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-fluorophenyl)methoxy]thiophene-2-carboxylic acid is sourced from PubChem (CID 103046291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).