2-[4-(2-hydroxypropan-2-yl)-2,5-bis(thieno[3,2-b]thiophen-5-yl)phenyl]propan-2-ol

C24H22O2S4 — CID 71234649

IUPAC2-[4-(2-hydroxypropan-2-yl)-2,5-bis(thieno[3,2-b]thiophen-5-yl)phenyl]propan-2-ol
SMILESCC(C)(O)c1cc(-c2cc3sccc3s2)c(C(C)(C)O)cc1-c1cc2sccc2s1
InChIInChI=1S/C24H22O2S4/c1-23(2,25)15-9-14(20-12-22-18(30-20)6-8-28-22)16(24(3,4)26)10-13(15)19-11-21-17(29-19)5-7-27-21/h5-12,25-26H,1-4H3
InChIKeyUKXLXMITKJKKLP-UHFFFAOYSA-N
MW470.71 g/mol
LogP8.03
Rot. Bonds4

About 2-[4-(2-hydroxypropan-2-yl)-2,5-bis(thieno[3,2-b]thiophen-5-yl)phenyl]propan-2-ol

2-[4-(2-hydroxypropan-2-yl)-2,5-bis(thieno[3,2-b]thiophen-5-yl)phenyl]propan-2-ol (PubChem CID 71234649) has the molecular formula C24H22O2S4 and a molecular weight of 470.71 g/mol. Its IUPAC name is 2-[4-(2-hydroxypropan-2-yl)-2,5-bis(thieno[3,2-b]thiophen-5-yl)phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-(2-hydroxypropan-2-yl)-2,5-bis(thieno[3,2-b]thiophen-5-yl)phenyl]propan-2-ol
PubChem CID71234649
Molecular FormulaC24H22O2S4
Molecular Weight470.71 g/mol
Exact Mass470.05
IUPAC Name2-[4-(2-hydroxypropan-2-yl)-2,5-bis(thieno[3,2-b]thiophen-5-yl)phenyl]propan-2-ol
SMILESCC(C)(O)c1cc(-c2cc3sccc3s2)c(C(C)(C)O)cc1-c1cc2sccc2s1
InChIInChI=1S/C24H22O2S4/c1-23(2,25)15-9-14(20-12-22-18(30-20)6-8-28-22)16(24(3,4)26)10-13(15)19-11-21-17(29-19)5-7-27-21/h5-12,25-26H,1-4H3
InChIKeyUKXLXMITKJKKLP-UHFFFAOYSA-N
XLogP8.03
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.71
LogP ≤ 58.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxypropan-2-yl)-2,5-bis(thieno[3,2-b]thiophen-5-yl)phenyl]propan-2-ol?
The IUPAC name of 2-[4-(2-hydroxypropan-2-yl)-2,5-bis(thieno[3,2-b]thiophen-5-yl)phenyl]propan-2-ol (CID 71234649) is 2-[4-(2-hydroxypropan-2-yl)-2,5-bis(thieno[3,2-b]thiophen-5-yl)phenyl]propan-2-ol.
What is the SMILES notation for 2-[4-(2-hydroxypropan-2-yl)-2,5-bis(thieno[3,2-b]thiophen-5-yl)phenyl]propan-2-ol?
The canonical SMILES for 2-[4-(2-hydroxypropan-2-yl)-2,5-bis(thieno[3,2-b]thiophen-5-yl)phenyl]propan-2-ol is CC(C)(O)c1cc(-c2cc3sccc3s2)c(C(C)(C)O)cc1-c1cc2sccc2s1.
What is the InChIKey of 2-[4-(2-hydroxypropan-2-yl)-2,5-bis(thieno[3,2-b]thiophen-5-yl)phenyl]propan-2-ol?
The InChIKey is UKXLXMITKJKKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O2S4/c1-23(2,25)15-9-14(20-12-22-18(30-20)6-8-28-22)16(24(3,4)26)10-13(15)19-11-21-17(29-19)5-7-27-21/h5-12,25-26H,1-4H3.
What are the key properties of 2-[4-(2-hydroxypropan-2-yl)-2,5-bis(thieno[3,2-b]thiophen-5-yl)phenyl]propan-2-ol?
2-[4-(2-hydroxypropan-2-yl)-2,5-bis(thieno[3,2-b]thiophen-5-yl)phenyl]propan-2-ol has a molecular weight of 470.71 g/mol, XLogP of 8.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxypropan-2-yl)-2,5-bis(thieno[3,2-b]thiophen-5-yl)phenyl]propan-2-ol is sourced from PubChem (CID 71234649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).