3-[(3,4-dimethylphenyl)methoxy]thiophene-2-carboxylic acid

C14H14O3S — CID 63336500

IUPAC3-[(3,4-dimethylphenyl)methoxy]thiophene-2-carboxylic acid
SMILESCc1ccc(COc2ccsc2C(=O)O)cc1C
InChIInChI=1S/C14H14O3S/c1-9-3-4-11(7-10(9)2)8-17-12-5-6-18-13(12)14(15)16/h3-7H,8H2,1-2H3,(H,15,16)
InChIKeyFLRUAAJQTWFGJT-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.64
Rot. Bonds4

About 3-[(3,4-dimethylphenyl)methoxy]thiophene-2-carboxylic acid

3-[(3,4-dimethylphenyl)methoxy]thiophene-2-carboxylic acid (PubChem CID 63336500) has the molecular formula C14H14O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is 3-[(3,4-dimethylphenyl)methoxy]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3,4-dimethylphenyl)methoxy]thiophene-2-carboxylic acid
PubChem CID63336500
Molecular FormulaC14H14O3S
Molecular Weight262.33 g/mol
Exact Mass262.07
IUPAC Name3-[(3,4-dimethylphenyl)methoxy]thiophene-2-carboxylic acid
SMILESCc1ccc(COc2ccsc2C(=O)O)cc1C
InChIInChI=1S/C14H14O3S/c1-9-3-4-11(7-10(9)2)8-17-12-5-6-18-13(12)14(15)16/h3-7H,8H2,1-2H3,(H,15,16)
InChIKeyFLRUAAJQTWFGJT-UHFFFAOYSA-N
XLogP3.64
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-bromo-4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid
CID 63336501
3-[(5-fluoro-2-methylphenyl)methoxy]thiophene-2-carboxylic acid
CID 105369830
3-[(4,5-dimethoxy-2-methylphenyl)methoxy]thiophene-2-carboxylic acid
CID 63338580
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-[(4-fluoro-2-methylphenyl)methoxy]thiophene-2-carboxylic acid
CID 114345680
3-[(2-cyano-4-pyridinyl)methoxy]thiophene-2-carboxylic acid
CID 63889212
3-[(3,4-dimethylphenyl)methoxy]-2-methylbenzoic acid
CID 82826882
3-[(5-fluoro-2-methoxyphenyl)methoxy]thiophene-2-carboxylic acid
CID 63336092
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-[(2,3,4,5,6-pentafluorophenyl)methoxy]thiophene-2-carboxylic acid
CID 63335962

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylphenyl)methoxy]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(3,4-dimethylphenyl)methoxy]thiophene-2-carboxylic acid (CID 63336500) is 3-[(3,4-dimethylphenyl)methoxy]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(3,4-dimethylphenyl)methoxy]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(3,4-dimethylphenyl)methoxy]thiophene-2-carboxylic acid is Cc1ccc(COc2ccsc2C(=O)O)cc1C.
What is the InChIKey of 3-[(3,4-dimethylphenyl)methoxy]thiophene-2-carboxylic acid?
The InChIKey is FLRUAAJQTWFGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3S/c1-9-3-4-11(7-10(9)2)8-17-12-5-6-18-13(12)14(15)16/h3-7H,8H2,1-2H3,(H,15,16).
What are the key properties of 3-[(3,4-dimethylphenyl)methoxy]thiophene-2-carboxylic acid?
3-[(3,4-dimethylphenyl)methoxy]thiophene-2-carboxylic acid has a molecular weight of 262.33 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylphenyl)methoxy]thiophene-2-carboxylic acid is sourced from PubChem (CID 63336500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).