5-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylic acid

C16H16O2S — CID 82488609

IUPAC5-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylic acid
SMILESCc1scc(C(=O)O)c1-c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H16O2S/c1-10-15(14(9-19-10)16(17)18)13-7-6-11-4-2-3-5-12(11)8-13/h6-9H,2-5H2,1H3,(H,17,18)
InChIKeyVHQDWVMNQAJVIS-UHFFFAOYSA-N
MW272.37 g/mol
LogP4.30
Rot. Bonds2

About 5-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylic acid

5-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylic acid (PubChem CID 82488609) has the molecular formula C16H16O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 5-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylic acid
PubChem CID82488609
Molecular FormulaC16H16O2S
Molecular Weight272.37 g/mol
Exact Mass272.09
IUPAC Name5-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylic acid
SMILESCc1scc(C(=O)O)c1-c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H16O2S/c1-10-15(14(9-19-10)16(17)18)13-7-6-11-4-2-3-5-12(11)8-13/h6-9H,2-5H2,1H3,(H,17,18)
InChIKeyVHQDWVMNQAJVIS-UHFFFAOYSA-N
XLogP4.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylic acid?
The IUPAC name of 5-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylic acid (CID 82488609) is 5-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylic acid.
What is the SMILES notation for 5-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylic acid?
The canonical SMILES for 5-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylic acid is Cc1scc(C(=O)O)c1-c1ccc2c(c1)CCCC2.
What is the InChIKey of 5-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylic acid?
The InChIKey is VHQDWVMNQAJVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2S/c1-10-15(14(9-19-10)16(17)18)13-7-6-11-4-2-3-5-12(11)8-13/h6-9H,2-5H2,1H3,(H,17,18).
What are the key properties of 5-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylic acid?
5-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylic acid has a molecular weight of 272.37 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylic acid is sourced from PubChem (CID 82488609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).