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

C16H16O2S2 — CID 80746017

IUPAC[4-(2-methoxyethyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol
SMILESCOCCc1ccc(C(O)c2cc3sccc3s2)cc1
InChIInChI=1S/C16H16O2S2/c1-18-8-6-11-2-4-12(5-3-11)16(17)15-10-14-13(20-15)7-9-19-14/h2-5,7,9-10,16-17H,6,8H2,1H3
InChIKeySWNCLQFECVJMIA-UHFFFAOYSA-N
MW304.44 g/mol
LogP4.23
Rot. Bonds5

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

[4-(2-methoxyethyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol (PubChem CID 80746017) has the molecular formula C16H16O2S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is [4-(2-methoxyethyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol.

Molecular Properties

Compound Name[4-(2-methoxyethyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol
PubChem CID80746017
Molecular FormulaC16H16O2S2
Molecular Weight304.44 g/mol
Exact Mass304.06
IUPAC Name[4-(2-methoxyethyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol
SMILESCOCCc1ccc(C(O)c2cc3sccc3s2)cc1
InChIInChI=1S/C16H16O2S2/c1-18-8-6-11-2-4-12(5-3-11)16(17)15-10-14-13(20-15)7-9-19-14/h2-5,7,9-10,16-17H,6,8H2,1H3
InChIKeySWNCLQFECVJMIA-UHFFFAOYSA-N
XLogP4.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyethyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol?
The IUPAC name of [4-(2-methoxyethyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol (CID 80746017) is [4-(2-methoxyethyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol.
What is the SMILES notation for [4-(2-methoxyethyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol?
The canonical SMILES for [4-(2-methoxyethyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol is COCCc1ccc(C(O)c2cc3sccc3s2)cc1.
What is the InChIKey of [4-(2-methoxyethyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol?
The InChIKey is SWNCLQFECVJMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2S2/c1-18-8-6-11-2-4-12(5-3-11)16(17)15-10-14-13(20-15)7-9-19-14/h2-5,7,9-10,16-17H,6,8H2,1H3.
What are the key properties of [4-(2-methoxyethyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol?
[4-(2-methoxyethyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol has a molecular weight of 304.44 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol is sourced from PubChem (CID 80746017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).