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

C13H11FO3S — CID 105369830

IUPAC3-[(5-fluoro-2-methylphenyl)methoxy]thiophene-2-carboxylic acid
SMILESCc1ccc(F)cc1COc1ccsc1C(=O)O
InChIInChI=1S/C13H11FO3S/c1-8-2-3-10(14)6-9(8)7-17-11-4-5-18-12(11)13(15)16/h2-6H,7H2,1H3,(H,15,16)
InChIKeyNGPFVFQJQNWTMZ-UHFFFAOYSA-N
MW266.29 g/mol
LogP3.47
Rot. Bonds4

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

3-[(5-fluoro-2-methylphenyl)methoxy]thiophene-2-carboxylic acid (PubChem CID 105369830) has the molecular formula C13H11FO3S and a molecular weight of 266.29 g/mol. Its IUPAC name is 3-[(5-fluoro-2-methylphenyl)methoxy]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(5-fluoro-2-methylphenyl)methoxy]thiophene-2-carboxylic acid
PubChem CID105369830
Molecular FormulaC13H11FO3S
Molecular Weight266.29 g/mol
Exact Mass266.04
IUPAC Name3-[(5-fluoro-2-methylphenyl)methoxy]thiophene-2-carboxylic acid
SMILESCc1ccc(F)cc1COc1ccsc1C(=O)O
InChIInChI=1S/C13H11FO3S/c1-8-2-3-10(14)6-9(8)7-17-11-4-5-18-12(11)13(15)16/h2-6H,7H2,1H3,(H,15,16)
InChIKeyNGPFVFQJQNWTMZ-UHFFFAOYSA-N
XLogP3.47
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-fluoro-2-methylphenyl)methoxy]thiophene-2-carboxylic acid
CID 114345680
3-[(5-fluoro-2-methoxyphenyl)methoxy]thiophene-2-carboxylic acid
CID 63336092
3-[(4,5-dimethoxy-2-methylphenyl)methoxy]thiophene-2-carboxylic acid
CID 63338580
3-[(5-fluoro-2-nitrophenyl)methoxy]thiophene-2-carboxylic acid
CID 63338489
3-[(3,4-dimethylphenyl)methoxy]thiophene-2-carboxylic acid
CID 63336500
2-fluoro-6-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid
CID 107013949
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
1-[4-fluoro-2-[(5-fluoro-2-methylphenyl)methoxy]phenyl]ethanone
CID 105371740
2-[(5-fluoro-2-methylphenyl)methoxy]-3-methylbenzoic acid
CID 105369808
3-[(2-bromo-5-methoxyphenyl)methoxy]thiophene-2-carboxylic acid
CID 65322037
5-[(5-fluoro-2-methylphenyl)methoxy]pyridine-2-carboxylic acid
CID 105371812

Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-2-methylphenyl)methoxy]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(5-fluoro-2-methylphenyl)methoxy]thiophene-2-carboxylic acid (CID 105369830) is 3-[(5-fluoro-2-methylphenyl)methoxy]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(5-fluoro-2-methylphenyl)methoxy]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(5-fluoro-2-methylphenyl)methoxy]thiophene-2-carboxylic acid is Cc1ccc(F)cc1COc1ccsc1C(=O)O.
What is the InChIKey of 3-[(5-fluoro-2-methylphenyl)methoxy]thiophene-2-carboxylic acid?
The InChIKey is NGPFVFQJQNWTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO3S/c1-8-2-3-10(14)6-9(8)7-17-11-4-5-18-12(11)13(15)16/h2-6H,7H2,1H3,(H,15,16).
What are the key properties of 3-[(5-fluoro-2-methylphenyl)methoxy]thiophene-2-carboxylic acid?
3-[(5-fluoro-2-methylphenyl)methoxy]thiophene-2-carboxylic acid has a molecular weight of 266.29 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-2-methylphenyl)methoxy]thiophene-2-carboxylic acid is sourced from PubChem (CID 105369830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).