5-[(E)-2-(3,4-dimethylphenyl)ethenyl]thiophene-2-carboxylic acid

C15H14O2S — CID 138509574

IUPAC5-[(E)-2-(3,4-dimethylphenyl)ethenyl]thiophene-2-carboxylic acid
SMILESCc1ccc(/C=C/c2ccc(C(=O)O)s2)cc1C
InChIInChI=1S/C15H14O2S/c1-10-3-4-12(9-11(10)2)5-6-13-7-8-14(18-13)15(16)17/h3-9H,1-2H3,(H,16,17)/b6-5+
InChIKeyYJAZXHPSZRVKBT-AATRIKPKSA-N
MW258.34 g/mol
LogP4.23
Rot. Bonds3

About 5-[(E)-2-(3,4-dimethylphenyl)ethenyl]thiophene-2-carboxylic acid

5-[(E)-2-(3,4-dimethylphenyl)ethenyl]thiophene-2-carboxylic acid (PubChem CID 138509574) has the molecular formula C15H14O2S and a molecular weight of 258.34 g/mol. Its IUPAC name is 5-[(E)-2-(3,4-dimethylphenyl)ethenyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(E)-2-(3,4-dimethylphenyl)ethenyl]thiophene-2-carboxylic acid
PubChem CID138509574
Molecular FormulaC15H14O2S
Molecular Weight258.34 g/mol
Exact Mass258.07
IUPAC Name5-[(E)-2-(3,4-dimethylphenyl)ethenyl]thiophene-2-carboxylic acid
SMILESCc1ccc(/C=C/c2ccc(C(=O)O)s2)cc1C
InChIInChI=1S/C15H14O2S/c1-10-3-4-12(9-11(10)2)5-6-13-7-8-14(18-13)15(16)17/h3-9H,1-2H3,(H,16,17)/b6-5+
InChIKeyYJAZXHPSZRVKBT-AATRIKPKSA-N
XLogP4.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(E)-2-[4-(4-hydroxybutan-2-yl)phenyl]ethenyl]thiophene-2-carboxylic acid
CID 56646800
5-[(Z)-2-(1,5,8-trimethyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)ethenyl]thiophene-2-carboxylic acid
CID 70476716
5-[3-(methylamino)prop-1-enyl]thiophene-2-carboxylic acid
CID 169473178
3-[5-[(3-chloro-4-methylphenyl)carbamoyl]thiophen-2-yl]prop-2-enoic acid
CID 76907271
5-[(E)-2-(5-methylcyclopenten-1-yl)ethenyl]thiophene-2-carboxylic acid
CID 118396531
4-[(E)-2-[5-[5-[(E)-2-(4-methylphenyl)ethenyl]thiophen-2-yl]thiophen-2-yl]ethenyl]benzoic acid
CID 58174933
5-[2-(propan-2-yloxyamino)ethenyl]thiophene-2-carboxylic acid
CID 57105584
3-(3,4-dimethylphenyl)prop-2-enyl hydrogen carbonate
CID 175063351
5-[(3-bromo-4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63334136
thiophene-2,5-dicarboxylic acid;dihydrochloride
CID 68502106
1-(3,4-dimethylphenyl)-3-(5-methylthiophen-2-yl)prop-2-en-1-one
CID 84855212
4-[(Z)-2-(3,4-dimethylphenyl)ethenyl]pyridine
CID 142200256

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(3,4-dimethylphenyl)ethenyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(E)-2-(3,4-dimethylphenyl)ethenyl]thiophene-2-carboxylic acid (CID 138509574) is 5-[(E)-2-(3,4-dimethylphenyl)ethenyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(E)-2-(3,4-dimethylphenyl)ethenyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(E)-2-(3,4-dimethylphenyl)ethenyl]thiophene-2-carboxylic acid is Cc1ccc(/C=C/c2ccc(C(=O)O)s2)cc1C.
What is the InChIKey of 5-[(E)-2-(3,4-dimethylphenyl)ethenyl]thiophene-2-carboxylic acid?
The InChIKey is YJAZXHPSZRVKBT-AATRIKPKSA-N. The full InChI is InChI=1S/C15H14O2S/c1-10-3-4-12(9-11(10)2)5-6-13-7-8-14(18-13)15(16)17/h3-9H,1-2H3,(H,16,17)/b6-5+.
What are the key properties of 5-[(E)-2-(3,4-dimethylphenyl)ethenyl]thiophene-2-carboxylic acid?
5-[(E)-2-(3,4-dimethylphenyl)ethenyl]thiophene-2-carboxylic acid has a molecular weight of 258.34 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(3,4-dimethylphenyl)ethenyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 138509574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).