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

C17H18OS2 — CID 80744923

IUPAC[4-(2-methylpropyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol
SMILESCC(C)Cc1ccc(C(O)c2cc3sccc3s2)cc1
InChIInChI=1S/C17H18OS2/c1-11(2)9-12-3-5-13(6-4-12)17(18)16-10-15-14(20-16)7-8-19-15/h3-8,10-11,17-18H,9H2,1-2H3
InChIKeyUFKCDUYQAWQXGG-UHFFFAOYSA-N
MW302.46 g/mol
LogP5.24
Rot. Bonds4

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

[4-(2-methylpropyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol (PubChem CID 80744923) has the molecular formula C17H18OS2 and a molecular weight of 302.46 g/mol. Its IUPAC name is [4-(2-methylpropyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol.

Molecular Properties

Compound Name[4-(2-methylpropyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol
PubChem CID80744923
Molecular FormulaC17H18OS2
Molecular Weight302.46 g/mol
Exact Mass302.08
IUPAC Name[4-(2-methylpropyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol
SMILESCC(C)Cc1ccc(C(O)c2cc3sccc3s2)cc1
InChIInChI=1S/C17H18OS2/c1-11(2)9-12-3-5-13(6-4-12)17(18)16-10-15-14(20-16)7-8-19-15/h3-8,10-11,17-18H,9H2,1-2H3
InChIKeyUFKCDUYQAWQXGG-UHFFFAOYSA-N
XLogP5.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-methoxyethyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol
CID 80746017
(4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanol
CID 80745407
1-benzothiophen-2-yl-[4-(2-methylpropyl)phenyl]methanol
CID 63427924
(4,5-dibromothiophen-2-yl)-[4-(2-methylpropyl)phenyl]methanol
CID 80537480
[4-(2-methylpropyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanone
CID 80734223
[4-(2-methylpropyl)phenyl]-(3-methylthiophen-2-yl)methanol
CID 61099824
5-methyl-1-thieno[3,2-b]thiophen-5-ylhexan-1-ol
CID 115830002
5-[1-bromo-2-(4-methylphenyl)ethyl]thieno[3,2-b]thiophene
CID 80739568
1-thieno[3,2-b]thiophen-5-ylbutan-1-ol
CID 115780945
(2-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol
CID 114979263
chloro(thieno[3,2-b]thiophen-5-yl)methanol
CID 123645090
2,3-dihydro-1-benzofuran-5-yl(thieno[3,2-b]thiophen-5-yl)methanol
CID 80746102

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol?
The IUPAC name of [4-(2-methylpropyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol (CID 80744923) is [4-(2-methylpropyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol.
What is the SMILES notation for [4-(2-methylpropyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol?
The canonical SMILES for [4-(2-methylpropyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol is CC(C)Cc1ccc(C(O)c2cc3sccc3s2)cc1.
What is the InChIKey of [4-(2-methylpropyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol?
The InChIKey is UFKCDUYQAWQXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18OS2/c1-11(2)9-12-3-5-13(6-4-12)17(18)16-10-15-14(20-16)7-8-19-15/h3-8,10-11,17-18H,9H2,1-2H3.
What are the key properties of [4-(2-methylpropyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol?
[4-(2-methylpropyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol has a molecular weight of 302.46 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol is sourced from PubChem (CID 80744923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).