(2-fluoro-4,6-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol

C15H13FOS2 — CID 106884088

IUPAC(2-fluoro-4,6-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol
SMILESCc1cc(C)c(C(O)c2cc3sccc3s2)c(F)c1
InChIInChI=1S/C15H13FOS2/c1-8-5-9(2)14(10(16)6-8)15(17)13-7-12-11(19-13)3-4-18-12/h3-7,15,17H,1-2H3
InChIKeyQGLYIHWBFRCTBL-UHFFFAOYSA-N
MW292.40 g/mol
LogP4.80
Rot. Bonds2

About (2-fluoro-4,6-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol

(2-fluoro-4,6-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol (PubChem CID 106884088) has the molecular formula C15H13FOS2 and a molecular weight of 292.40 g/mol. Its IUPAC name is (2-fluoro-4,6-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol.

Molecular Properties

Compound Name(2-fluoro-4,6-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol
PubChem CID106884088
Molecular FormulaC15H13FOS2
Molecular Weight292.40 g/mol
Exact Mass292.04
IUPAC Name(2-fluoro-4,6-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol
SMILESCc1cc(C)c(C(O)c2cc3sccc3s2)c(F)c1
InChIInChI=1S/C15H13FOS2/c1-8-5-9(2)14(10(16)6-8)15(17)13-7-12-11(19-13)3-4-18-12/h3-7,15,17H,1-2H3
InChIKeyQGLYIHWBFRCTBL-UHFFFAOYSA-N
XLogP4.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4,6-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol?
The IUPAC name of (2-fluoro-4,6-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol (CID 106884088) is (2-fluoro-4,6-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol.
What is the SMILES notation for (2-fluoro-4,6-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol?
The canonical SMILES for (2-fluoro-4,6-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol is Cc1cc(C)c(C(O)c2cc3sccc3s2)c(F)c1.
What is the InChIKey of (2-fluoro-4,6-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol?
The InChIKey is QGLYIHWBFRCTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FOS2/c1-8-5-9(2)14(10(16)6-8)15(17)13-7-12-11(19-13)3-4-18-12/h3-7,15,17H,1-2H3.
What are the key properties of (2-fluoro-4,6-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol?
(2-fluoro-4,6-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol has a molecular weight of 292.40 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4,6-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol is sourced from PubChem (CID 106884088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).