(2E)-2-(5,7-dimethylindeno[1,2-b]thiophen-4-ylidene)acetic acid

C15H12O2S — CID 82578837

IUPAC(2E)-2-(5,7-dimethylindeno[1,2-b]thiophen-4-ylidene)acetic acid
SMILESCc1cc(C)c2c(c1)-c1sccc1/C2=C/C(=O)O
InChIInChI=1S/C15H12O2S/c1-8-5-9(2)14-11(7-13(16)17)10-3-4-18-15(10)12(14)6-8/h3-7H,1-2H3,(H,16,17)/b11-7-
InChIKeyVFRSHLOVEXTMKW-XFFZJAGNSA-N
MW256.33 g/mol
LogP3.86
Rot. Bonds1

About (2E)-2-(5,7-dimethylindeno[1,2-b]thiophen-4-ylidene)acetic acid

(2E)-2-(5,7-dimethylindeno[1,2-b]thiophen-4-ylidene)acetic acid (PubChem CID 82578837) has the molecular formula C15H12O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is (2E)-2-(5,7-dimethylindeno[1,2-b]thiophen-4-ylidene)acetic acid.

Molecular Properties

Compound Name(2E)-2-(5,7-dimethylindeno[1,2-b]thiophen-4-ylidene)acetic acid
PubChem CID82578837
Molecular FormulaC15H12O2S
Molecular Weight256.33 g/mol
Exact Mass256.06
IUPAC Name(2E)-2-(5,7-dimethylindeno[1,2-b]thiophen-4-ylidene)acetic acid
SMILESCc1cc(C)c2c(c1)-c1sccc1/C2=C/C(=O)O
InChIInChI=1S/C15H12O2S/c1-8-5-9(2)14-11(7-13(16)17)10-3-4-18-15(10)12(14)6-8/h3-7H,1-2H3,(H,16,17)/b11-7-
InChIKeyVFRSHLOVEXTMKW-XFFZJAGNSA-N
XLogP3.86
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2E)-2-(5,7-dimethylindeno[1,2-b]thiophen-4-ylidene)acetic 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 (2E)-2-(5,7-dimethylindeno[1,2-b]thiophen-4-ylidene)acetic acid?
The IUPAC name of (2E)-2-(5,7-dimethylindeno[1,2-b]thiophen-4-ylidene)acetic acid (CID 82578837) is (2E)-2-(5,7-dimethylindeno[1,2-b]thiophen-4-ylidene)acetic acid.
What is the SMILES notation for (2E)-2-(5,7-dimethylindeno[1,2-b]thiophen-4-ylidene)acetic acid?
The canonical SMILES for (2E)-2-(5,7-dimethylindeno[1,2-b]thiophen-4-ylidene)acetic acid is Cc1cc(C)c2c(c1)-c1sccc1/C2=C/C(=O)O.
What is the InChIKey of (2E)-2-(5,7-dimethylindeno[1,2-b]thiophen-4-ylidene)acetic acid?
The InChIKey is VFRSHLOVEXTMKW-XFFZJAGNSA-N. The full InChI is InChI=1S/C15H12O2S/c1-8-5-9(2)14-11(7-13(16)17)10-3-4-18-15(10)12(14)6-8/h3-7H,1-2H3,(H,16,17)/b11-7-.
What are the key properties of (2E)-2-(5,7-dimethylindeno[1,2-b]thiophen-4-ylidene)acetic acid?
(2E)-2-(5,7-dimethylindeno[1,2-b]thiophen-4-ylidene)acetic acid has a molecular weight of 256.33 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(5,7-dimethylindeno[1,2-b]thiophen-4-ylidene)acetic acid is sourced from PubChem (CID 82578837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).