4,4-dimethylthieno[3,2-c]chromene-2-carboxylic acid

C14H12O3S — CID 81137565

IUPAC4,4-dimethylthieno[3,2-c]chromene-2-carboxylic acid
SMILESCC1(C)Oc2ccccc2-c2sc(C(=O)O)cc21
InChIInChI=1S/C14H12O3S/c1-14(2)9-7-11(13(15)16)18-12(9)8-5-3-4-6-10(8)17-14/h3-7H,1-2H3,(H,15,16)
InChIKeyHHRKLWSMQGVDTG-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.74
Rot. Bonds1

About 4,4-dimethylthieno[3,2-c]chromene-2-carboxylic acid

4,4-dimethylthieno[3,2-c]chromene-2-carboxylic acid (PubChem CID 81137565) has the molecular formula C14H12O3S and a molecular weight of 260.31 g/mol. Its IUPAC name is 4,4-dimethylthieno[3,2-c]chromene-2-carboxylic acid.

Molecular Properties

Compound Name4,4-dimethylthieno[3,2-c]chromene-2-carboxylic acid
PubChem CID81137565
Molecular FormulaC14H12O3S
Molecular Weight260.31 g/mol
Exact Mass260.05
IUPAC Name4,4-dimethylthieno[3,2-c]chromene-2-carboxylic acid
SMILESCC1(C)Oc2ccccc2-c2sc(C(=O)O)cc21
InChIInChI=1S/C14H12O3S/c1-14(2)9-7-11(13(15)16)18-12(9)8-5-3-4-6-10(8)17-14/h3-7H,1-2H3,(H,15,16)
InChIKeyHHRKLWSMQGVDTG-UHFFFAOYSA-N
XLogP3.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylthieno[3,2-c]chromene-2-carboxylic acid?
The IUPAC name of 4,4-dimethylthieno[3,2-c]chromene-2-carboxylic acid (CID 81137565) is 4,4-dimethylthieno[3,2-c]chromene-2-carboxylic acid.
What is the SMILES notation for 4,4-dimethylthieno[3,2-c]chromene-2-carboxylic acid?
The canonical SMILES for 4,4-dimethylthieno[3,2-c]chromene-2-carboxylic acid is CC1(C)Oc2ccccc2-c2sc(C(=O)O)cc21.
What is the InChIKey of 4,4-dimethylthieno[3,2-c]chromene-2-carboxylic acid?
The InChIKey is HHRKLWSMQGVDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3S/c1-14(2)9-7-11(13(15)16)18-12(9)8-5-3-4-6-10(8)17-14/h3-7H,1-2H3,(H,15,16).
What are the key properties of 4,4-dimethylthieno[3,2-c]chromene-2-carboxylic acid?
4,4-dimethylthieno[3,2-c]chromene-2-carboxylic acid has a molecular weight of 260.31 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylthieno[3,2-c]chromene-2-carboxylic acid is sourced from PubChem (CID 81137565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).