3-[(4,5-dimethoxy-2-methylphenyl)methoxy]thiophene-2-carboxylic acid

C15H16O5S — CID 63338580

IUPAC3-[(4,5-dimethoxy-2-methylphenyl)methoxy]thiophene-2-carboxylic acid
SMILESCOc1cc(C)c(COc2ccsc2C(=O)O)cc1OC
InChIInChI=1S/C15H16O5S/c1-9-6-12(18-2)13(19-3)7-10(9)8-20-11-4-5-21-14(11)15(16)17/h4-7H,8H2,1-3H3,(H,16,17)
InChIKeyGFKMGVZLYWNKTN-UHFFFAOYSA-N
MW308.36 g/mol
LogP3.35
Rot. Bonds6

About 3-[(4,5-dimethoxy-2-methylphenyl)methoxy]thiophene-2-carboxylic acid

3-[(4,5-dimethoxy-2-methylphenyl)methoxy]thiophene-2-carboxylic acid (PubChem CID 63338580) has the molecular formula C15H16O5S and a molecular weight of 308.36 g/mol. Its IUPAC name is 3-[(4,5-dimethoxy-2-methylphenyl)methoxy]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4,5-dimethoxy-2-methylphenyl)methoxy]thiophene-2-carboxylic acid
PubChem CID63338580
Molecular FormulaC15H16O5S
Molecular Weight308.36 g/mol
Exact Mass308.07
IUPAC Name3-[(4,5-dimethoxy-2-methylphenyl)methoxy]thiophene-2-carboxylic acid
SMILESCOc1cc(C)c(COc2ccsc2C(=O)O)cc1OC
InChIInChI=1S/C15H16O5S/c1-9-6-12(18-2)13(19-3)7-10(9)8-20-11-4-5-21-14(11)15(16)17/h4-7H,8H2,1-3H3,(H,16,17)
InChIKeyGFKMGVZLYWNKTN-UHFFFAOYSA-N
XLogP3.35
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-fluoro-2-methylphenyl)methoxy]thiophene-2-carboxylic acid
CID 105369830
3-[(5-fluoro-2-methoxyphenyl)methoxy]thiophene-2-carboxylic acid
CID 63336092
3-[(4-fluoro-2-methylphenyl)methoxy]thiophene-2-carboxylic acid
CID 114345680
3-[(3,4-dimethylphenyl)methoxy]thiophene-2-carboxylic acid
CID 63336500
3-[(2-bromo-5-methoxyphenyl)methoxy]thiophene-2-carboxylic acid
CID 65322037
3-[(3-bromo-4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid
CID 63336501
3-[(4-methoxy-3-nitrophenyl)methoxy]thiophene-2-carboxylic acid
CID 63338048
3-[(5-methyl-3-pyridinyl)methoxy]thiophene-2-carboxylic acid
CID 102880260
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid
CID 63338532
3-[(3-methoxy-5-nitrophenyl)methoxy]thiophene-2-carboxylic acid
CID 81144084
3-[(5-fluoro-2-nitrophenyl)methoxy]thiophene-2-carboxylic acid
CID 63338489
3-[(2-methyl-3-nitrophenyl)methoxy]thiophene-2-carboxylic acid
CID 63336186

Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dimethoxy-2-methylphenyl)methoxy]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(4,5-dimethoxy-2-methylphenyl)methoxy]thiophene-2-carboxylic acid (CID 63338580) is 3-[(4,5-dimethoxy-2-methylphenyl)methoxy]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(4,5-dimethoxy-2-methylphenyl)methoxy]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(4,5-dimethoxy-2-methylphenyl)methoxy]thiophene-2-carboxylic acid is COc1cc(C)c(COc2ccsc2C(=O)O)cc1OC.
What is the InChIKey of 3-[(4,5-dimethoxy-2-methylphenyl)methoxy]thiophene-2-carboxylic acid?
The InChIKey is GFKMGVZLYWNKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O5S/c1-9-6-12(18-2)13(19-3)7-10(9)8-20-11-4-5-21-14(11)15(16)17/h4-7H,8H2,1-3H3,(H,16,17).
What are the key properties of 3-[(4,5-dimethoxy-2-methylphenyl)methoxy]thiophene-2-carboxylic acid?
3-[(4,5-dimethoxy-2-methylphenyl)methoxy]thiophene-2-carboxylic acid has a molecular weight of 308.36 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dimethoxy-2-methylphenyl)methoxy]thiophene-2-carboxylic acid is sourced from PubChem (CID 63338580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).