5-(2,3-dihydro-1-benzofuran-5-yl)-4-methylthiophene-2-carboxylic acid

C14H12O3S — CID 79997151

IUPAC5-(2,3-dihydro-1-benzofuran-5-yl)-4-methylthiophene-2-carboxylic acid
SMILESCc1cc(C(=O)O)sc1-c1ccc2c(c1)CCO2
InChIInChI=1S/C14H12O3S/c1-8-6-12(14(15)16)18-13(8)10-2-3-11-9(7-10)4-5-17-11/h2-3,6-7H,4-5H2,1H3,(H,15,16)
InChIKeyQDLPYNBWYYVBHU-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.36
Rot. Bonds2

About 5-(2,3-dihydro-1-benzofuran-5-yl)-4-methylthiophene-2-carboxylic acid

5-(2,3-dihydro-1-benzofuran-5-yl)-4-methylthiophene-2-carboxylic acid (PubChem CID 79997151) has the molecular formula C14H12O3S and a molecular weight of 260.31 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzofuran-5-yl)-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(2,3-dihydro-1-benzofuran-5-yl)-4-methylthiophene-2-carboxylic acid
PubChem CID79997151
Molecular FormulaC14H12O3S
Molecular Weight260.31 g/mol
Exact Mass260.05
IUPAC Name5-(2,3-dihydro-1-benzofuran-5-yl)-4-methylthiophene-2-carboxylic acid
SMILESCc1cc(C(=O)O)sc1-c1ccc2c(c1)CCO2
InChIInChI=1S/C14H12O3S/c1-8-6-12(14(15)16)18-13(8)10-2-3-11-9(7-10)4-5-17-11/h2-3,6-7H,4-5H2,1H3,(H,15,16)
InChIKeyQDLPYNBWYYVBHU-UHFFFAOYSA-N
XLogP3.36
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1,3-dihydro-2-benzofuran-5-yl)-4-methylthiophene-2-carboxylic acid
CID 79996984
5-(3,4-dichlorophenyl)-4-methylthiophene-2-carboxylic acid
CID 78943773
5-(3-fluoro-4-methylphenyl)-4-methylthiophene-2-carboxylic acid
CID 78973945
5-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-2-carboxylic acid
CID 71700391
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
2-(2,3-dihydro-1-benzofuran-5-yl)benzoic acid
CID 4133179
1-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-5-yl]ethanone;ethane
CID 143027008
5-methyl-2,3-dihydro-1-benzofuran
CID 12725190
2,3-dihydro-1-benzofuran-5-yl-(5-methylthiophen-2-yl)methanone
CID 43462923
5-bromo-2-(2,3-dihydro-1-benzofuran-5-yl)benzoic acid
CID 114032365
5-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4-oxadiazole-2-carboxylic acid
CID 112619620
5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carboxylic acid
CID 54974551

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1-benzofuran-5-yl)-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-(2,3-dihydro-1-benzofuran-5-yl)-4-methylthiophene-2-carboxylic acid (CID 79997151) is 5-(2,3-dihydro-1-benzofuran-5-yl)-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-(2,3-dihydro-1-benzofuran-5-yl)-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-(2,3-dihydro-1-benzofuran-5-yl)-4-methylthiophene-2-carboxylic acid is Cc1cc(C(=O)O)sc1-c1ccc2c(c1)CCO2.
What is the InChIKey of 5-(2,3-dihydro-1-benzofuran-5-yl)-4-methylthiophene-2-carboxylic acid?
The InChIKey is QDLPYNBWYYVBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3S/c1-8-6-12(14(15)16)18-13(8)10-2-3-11-9(7-10)4-5-17-11/h2-3,6-7H,4-5H2,1H3,(H,15,16).
What are the key properties of 5-(2,3-dihydro-1-benzofuran-5-yl)-4-methylthiophene-2-carboxylic acid?
5-(2,3-dihydro-1-benzofuran-5-yl)-4-methylthiophene-2-carboxylic acid has a molecular weight of 260.31 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1-benzofuran-5-yl)-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 79997151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).