3-[(5-fluoro-2-methoxyphenyl)methoxy]thiophene-2-carboxylic acid

C13H11FO4S — CID 63336092

IUPAC3-[(5-fluoro-2-methoxyphenyl)methoxy]thiophene-2-carboxylic acid
SMILESCOc1ccc(F)cc1COc1ccsc1C(=O)O
InChIInChI=1S/C13H11FO4S/c1-17-10-3-2-9(14)6-8(10)7-18-11-4-5-19-12(11)13(15)16/h2-6H,7H2,1H3,(H,15,16)
InChIKeyWRHRYCPGVQLWTA-UHFFFAOYSA-N
MW282.29 g/mol
LogP3.17
Rot. Bonds5

About 3-[(5-fluoro-2-methoxyphenyl)methoxy]thiophene-2-carboxylic acid

3-[(5-fluoro-2-methoxyphenyl)methoxy]thiophene-2-carboxylic acid (PubChem CID 63336092) has the molecular formula C13H11FO4S and a molecular weight of 282.29 g/mol. Its IUPAC name is 3-[(5-fluoro-2-methoxyphenyl)methoxy]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(5-fluoro-2-methoxyphenyl)methoxy]thiophene-2-carboxylic acid
PubChem CID63336092
Molecular FormulaC13H11FO4S
Molecular Weight282.29 g/mol
Exact Mass282.04
IUPAC Name3-[(5-fluoro-2-methoxyphenyl)methoxy]thiophene-2-carboxylic acid
SMILESCOc1ccc(F)cc1COc1ccsc1C(=O)O
InChIInChI=1S/C13H11FO4S/c1-17-10-3-2-9(14)6-8(10)7-18-11-4-5-19-12(11)13(15)16/h2-6H,7H2,1H3,(H,15,16)
InChIKeyWRHRYCPGVQLWTA-UHFFFAOYSA-N
XLogP3.17
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-fluoro-2-methylphenyl)methoxy]thiophene-2-carboxylic acid
CID 105369830
3-[(4-fluoro-2-methylphenyl)methoxy]thiophene-2-carboxylic acid
CID 114345680
3-[(5-fluoro-2-nitrophenyl)methoxy]thiophene-2-carboxylic acid
CID 63338489
3-[(4,5-dimethoxy-2-methylphenyl)methoxy]thiophene-2-carboxylic acid
CID 63338580
3-[(3-bromo-4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid
CID 63336501
3-[(2-bromo-5-methoxyphenyl)methoxy]thiophene-2-carboxylic acid
CID 65322037
3-[(6-fluoroquinolin-8-yl)methoxy]thiophene-2-carboxylic acid
CID 63336089
3-[(2,3,4,5,6-pentafluorophenyl)methoxy]thiophene-2-carboxylic acid
CID 63335962
3-[(4-methoxy-3-nitrophenyl)methoxy]thiophene-2-carboxylic acid
CID 63338048
3-[(3,4-dimethylphenyl)methoxy]thiophene-2-carboxylic acid
CID 63336500
N-[2-[(5-fluoro-2-methoxyphenyl)methoxy]phenyl]acetamide
CID 9017920
3-[(3-methoxy-5-nitrophenyl)methoxy]thiophene-2-carboxylic acid
CID 81144084

Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-2-methoxyphenyl)methoxy]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(5-fluoro-2-methoxyphenyl)methoxy]thiophene-2-carboxylic acid (CID 63336092) is 3-[(5-fluoro-2-methoxyphenyl)methoxy]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(5-fluoro-2-methoxyphenyl)methoxy]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(5-fluoro-2-methoxyphenyl)methoxy]thiophene-2-carboxylic acid is COc1ccc(F)cc1COc1ccsc1C(=O)O.
What is the InChIKey of 3-[(5-fluoro-2-methoxyphenyl)methoxy]thiophene-2-carboxylic acid?
The InChIKey is WRHRYCPGVQLWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO4S/c1-17-10-3-2-9(14)6-8(10)7-18-11-4-5-19-12(11)13(15)16/h2-6H,7H2,1H3,(H,15,16).
What are the key properties of 3-[(5-fluoro-2-methoxyphenyl)methoxy]thiophene-2-carboxylic acid?
3-[(5-fluoro-2-methoxyphenyl)methoxy]thiophene-2-carboxylic acid has a molecular weight of 282.29 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-2-methoxyphenyl)methoxy]thiophene-2-carboxylic acid is sourced from PubChem (CID 63336092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).