(2-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol

C14H12OS2 — CID 114979263

IUPAC(2-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol
SMILESCc1ccccc1C(O)c1cc2sccc2s1
InChIInChI=1S/C14H12OS2/c1-9-4-2-3-5-10(9)14(15)13-8-12-11(17-13)6-7-16-12/h2-8,14-15H,1H3
InChIKeyFPJHOZWPQZCTEN-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.35
Rot. Bonds2

About (2-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol

(2-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol (PubChem CID 114979263) has the molecular formula C14H12OS2 and a molecular weight of 260.38 g/mol. Its IUPAC name is (2-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol.

Molecular Properties

Compound Name(2-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol
PubChem CID114979263
Molecular FormulaC14H12OS2
Molecular Weight260.38 g/mol
Exact Mass260.03
IUPAC Name(2-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol
SMILESCc1ccccc1C(O)c1cc2sccc2s1
InChIInChI=1S/C14H12OS2/c1-9-4-2-3-5-10(9)14(15)13-8-12-11(17-13)6-7-16-12/h2-8,14-15H,1H3
InChIKeyFPJHOZWPQZCTEN-UHFFFAOYSA-N
XLogP4.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 115795113
(2-chloro-4-fluoro-5-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol
CID 81044859
(7-methyl-1-benzofuran-2-yl)-thieno[3,2-b]thiophen-5-ylmethanol
CID 115836487
(5-methylthiophen-3-yl)-thieno[3,2-b]thiophen-5-ylmethanol
CID 115807767
(5-chloro-2-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanol
CID 104546249
(2,4-difluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanol
CID 80745410
chloro(thieno[3,2-b]thiophen-5-yl)methanol
CID 123645090
(4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanol
CID 80745407
2-(2-methylphenyl)-3-oxo-3-thieno[3,2-b]thiophen-5-ylpropanenitrile
CID 80745669
1-thieno[3,2-b]thiophen-5-ylbutan-1-ol
CID 115780945
[4-(2-methylpropyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol
CID 80744923
1-(2,5-dimethylphenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80734021

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol?
The IUPAC name of (2-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol (CID 114979263) is (2-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol.
What is the SMILES notation for (2-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol?
The canonical SMILES for (2-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol is Cc1ccccc1C(O)c1cc2sccc2s1.
What is the InChIKey of (2-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol?
The InChIKey is FPJHOZWPQZCTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12OS2/c1-9-4-2-3-5-10(9)14(15)13-8-12-11(17-13)6-7-16-12/h2-8,14-15H,1H3.
What are the key properties of (2-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol?
(2-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol has a molecular weight of 260.38 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol is sourced from PubChem (CID 114979263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).