(7-methyl-1-benzofuran-2-yl)-thieno[3,2-b]thiophen-5-ylmethanol

C16H12O2S2 — CID 115836487

IUPAC(7-methyl-1-benzofuran-2-yl)-thieno[3,2-b]thiophen-5-ylmethanol
SMILESCc1cccc2cc(C(O)c3cc4sccc4s3)oc12
InChIInChI=1S/C16H12O2S2/c1-9-3-2-4-10-7-11(18-16(9)10)15(17)14-8-13-12(20-14)5-6-19-13/h2-8,15,17H,1H3
InChIKeySIPFPIRQLFWITP-UHFFFAOYSA-N
MW300.40 g/mol
LogP5.10
Rot. Bonds2

About (7-methyl-1-benzofuran-2-yl)-thieno[3,2-b]thiophen-5-ylmethanol

(7-methyl-1-benzofuran-2-yl)-thieno[3,2-b]thiophen-5-ylmethanol (PubChem CID 115836487) has the molecular formula C16H12O2S2 and a molecular weight of 300.40 g/mol. Its IUPAC name is (7-methyl-1-benzofuran-2-yl)-thieno[3,2-b]thiophen-5-ylmethanol.

Molecular Properties

Compound Name(7-methyl-1-benzofuran-2-yl)-thieno[3,2-b]thiophen-5-ylmethanol
PubChem CID115836487
Molecular FormulaC16H12O2S2
Molecular Weight300.40 g/mol
Exact Mass300.03
IUPAC Name(7-methyl-1-benzofuran-2-yl)-thieno[3,2-b]thiophen-5-ylmethanol
SMILESCc1cccc2cc(C(O)c3cc4sccc4s3)oc12
InChIInChI=1S/C16H12O2S2/c1-9-3-2-4-10-7-11(18-16(9)10)15(17)14-8-13-12(20-14)5-6-19-13/h2-8,15,17H,1H3
InChIKeySIPFPIRQLFWITP-UHFFFAOYSA-N
XLogP5.10
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.40
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (7-methyl-1-benzofuran-2-yl)-thieno[3,2-b]thiophen-5-ylmethanol with MolForge

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Related Compounds

(2-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol
CID 114979263
(7-chloro-1-benzofuran-2-yl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 105048658
(3,5-dimethylphenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723638
1-benzofuran-2-yl-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723563
(7-methyl-1-benzofuran-2-yl)-(2,4,5-trimethylfuran-3-yl)methanol
CID 115836437
3,3,3-trifluoro-1-(7-methyl-1-benzofuran-2-yl)-2-(trifluoromethyl)propan-1-ol
CID 103312648
(5-methylthiophen-3-yl)-thieno[3,2-b]thiophen-5-ylmethanol
CID 115807767
(2,3-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723415
(3,4-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723344
(7-methyl-1-benzofuran-2-yl)-(2-methyl-3-pyridinyl)methanol
CID 105129303
(3-bromofuran-2-yl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 106886296
(2-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 115795113

Frequently Asked Questions

What is the IUPAC name of (7-methyl-1-benzofuran-2-yl)-thieno[3,2-b]thiophen-5-ylmethanol?
The IUPAC name of (7-methyl-1-benzofuran-2-yl)-thieno[3,2-b]thiophen-5-ylmethanol (CID 115836487) is (7-methyl-1-benzofuran-2-yl)-thieno[3,2-b]thiophen-5-ylmethanol.
What is the SMILES notation for (7-methyl-1-benzofuran-2-yl)-thieno[3,2-b]thiophen-5-ylmethanol?
The canonical SMILES for (7-methyl-1-benzofuran-2-yl)-thieno[3,2-b]thiophen-5-ylmethanol is Cc1cccc2cc(C(O)c3cc4sccc4s3)oc12.
What is the InChIKey of (7-methyl-1-benzofuran-2-yl)-thieno[3,2-b]thiophen-5-ylmethanol?
The InChIKey is SIPFPIRQLFWITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O2S2/c1-9-3-2-4-10-7-11(18-16(9)10)15(17)14-8-13-12(20-14)5-6-19-13/h2-8,15,17H,1H3.
What are the key properties of (7-methyl-1-benzofuran-2-yl)-thieno[3,2-b]thiophen-5-ylmethanol?
(7-methyl-1-benzofuran-2-yl)-thieno[3,2-b]thiophen-5-ylmethanol has a molecular weight of 300.40 g/mol, XLogP of 5.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-1-benzofuran-2-yl)-thieno[3,2-b]thiophen-5-ylmethanol is sourced from PubChem (CID 115836487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).