[4-(2-methylbutan-2-yl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol

C18H20OS2 — CID 80738896

IUPAC[4-(2-methylbutan-2-yl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol
SMILESCCC(C)(C)c1ccc(C(O)c2cc3sccc3s2)cc1
InChIInChI=1S/C18H20OS2/c1-4-18(2,3)13-7-5-12(6-8-13)17(19)16-11-15-14(21-16)9-10-20-15/h5-11,17,19H,4H2,1-3H3
InChIKeyBMLNJNGSERWUIB-UHFFFAOYSA-N
MW316.49 g/mol
LogP5.73
Rot. Bonds4

About [4-(2-methylbutan-2-yl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol

[4-(2-methylbutan-2-yl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol (PubChem CID 80738896) has the molecular formula C18H20OS2 and a molecular weight of 316.49 g/mol. Its IUPAC name is [4-(2-methylbutan-2-yl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol.

Molecular Properties

Compound Name[4-(2-methylbutan-2-yl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol
PubChem CID80738896
Molecular FormulaC18H20OS2
Molecular Weight316.49 g/mol
Exact Mass316.10
IUPAC Name[4-(2-methylbutan-2-yl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol
SMILESCCC(C)(C)c1ccc(C(O)c2cc3sccc3s2)cc1
InChIInChI=1S/C18H20OS2/c1-4-18(2,3)13-7-5-12(6-8-13)17(19)16-11-15-14(21-16)9-10-20-15/h5-11,17,19H,4H2,1-3H3
InChIKeyBMLNJNGSERWUIB-UHFFFAOYSA-N
XLogP5.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.49
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanol
CID 80745407
[4-(2-methylpropyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol
CID 80744923
(3-chlorothiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol
CID 80641514
(5-methylthiophen-3-yl)-thieno[3,2-b]thiophen-5-ylmethanol
CID 115807767
(5-bromothiophen-3-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol
CID 107964313
1-thieno[3,2-b]thiophen-5-ylbutan-1-ol
CID 115780945
(5-ethoxy-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethanol
CID 115829098
1-thieno[3,2-b]thiophen-5-yloctan-1-ol
CID 115783186
4,4-dimethyl-1-thieno[3,2-b]thiophen-5-ylpentan-1-amine
CID 115850208
(2-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol
CID 114979263
(4-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol
CID 66260153
(5-bromofuran-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol
CID 66260156

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylbutan-2-yl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol?
The IUPAC name of [4-(2-methylbutan-2-yl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol (CID 80738896) is [4-(2-methylbutan-2-yl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol.
What is the SMILES notation for [4-(2-methylbutan-2-yl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol?
The canonical SMILES for [4-(2-methylbutan-2-yl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol is CCC(C)(C)c1ccc(C(O)c2cc3sccc3s2)cc1.
What is the InChIKey of [4-(2-methylbutan-2-yl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol?
The InChIKey is BMLNJNGSERWUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20OS2/c1-4-18(2,3)13-7-5-12(6-8-13)17(19)16-11-15-14(21-16)9-10-20-15/h5-11,17,19H,4H2,1-3H3.
What are the key properties of [4-(2-methylbutan-2-yl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol?
[4-(2-methylbutan-2-yl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol has a molecular weight of 316.49 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylbutan-2-yl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol is sourced from PubChem (CID 80738896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).