5-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-2-carboxylic acid

C15H14O2S — CID 43153962

IUPAC5-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cccc3c2CCCC3)s1
InChIInChI=1S/C15H14O2S/c16-15(17)14-9-8-13(18-14)12-7-3-5-10-4-1-2-6-11(10)12/h3,5,7-9H,1-2,4,6H2,(H,16,17)
InChIKeyRNMIRHLTBNSVOE-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.99
Rot. Bonds2

About 5-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-2-carboxylic acid

5-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-2-carboxylic acid (PubChem CID 43153962) has the molecular formula C15H14O2S and a molecular weight of 258.34 g/mol. Its IUPAC name is 5-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-2-carboxylic acid
PubChem CID43153962
Molecular FormulaC15H14O2S
Molecular Weight258.34 g/mol
Exact Mass258.07
IUPAC Name5-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cccc3c2CCCC3)s1
InChIInChI=1S/C15H14O2S/c16-15(17)14-9-8-13(18-14)12-7-3-5-10-4-1-2-6-11(10)12/h3,5,7-9H,1-2,4,6H2,(H,16,17)
InChIKeyRNMIRHLTBNSVOE-UHFFFAOYSA-N
XLogP3.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-2-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-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-2-carboxylic acid (CID 43153962) is 5-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-2-carboxylic acid is O=C(O)c1ccc(-c2cccc3c2CCCC3)s1.
What is the InChIKey of 5-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-2-carboxylic acid?
The InChIKey is RNMIRHLTBNSVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2S/c16-15(17)14-9-8-13(18-14)12-7-3-5-10-4-1-2-6-11(10)12/h3,5,7-9H,1-2,4,6H2,(H,16,17).
What are the key properties of 5-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-2-carboxylic acid?
5-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-2-carboxylic acid has a molecular weight of 258.34 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-2-carboxylic acid is sourced from PubChem (CID 43153962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).