2,3,5,6,7-pentamethyl-1-benzothiophen-4-ol

C13H16OS — CID 20583109

IUPAC2,3,5,6,7-pentamethyl-1-benzothiophen-4-ol
SMILESCc1sc2c(C)c(C)c(C)c(O)c2c1C
InChIInChI=1S/C13H16OS/c1-6-7(2)12(14)11-9(4)10(5)15-13(11)8(6)3/h14H,1-5H3
InChIKeyXZFHALHVTDBANP-UHFFFAOYSA-N
MW220.34 g/mol
LogP4.15
Rot. Bonds

About 2,3,5,6,7-pentamethyl-1-benzothiophen-4-ol

2,3,5,6,7-pentamethyl-1-benzothiophen-4-ol (PubChem CID 20583109) has the molecular formula C13H16OS and a molecular weight of 220.34 g/mol. Its IUPAC name is 2,3,5,6,7-pentamethyl-1-benzothiophen-4-ol.

Molecular Properties

Compound Name2,3,5,6,7-pentamethyl-1-benzothiophen-4-ol
PubChem CID20583109
Molecular FormulaC13H16OS
Molecular Weight220.34 g/mol
Exact Mass220.09
IUPAC Name2,3,5,6,7-pentamethyl-1-benzothiophen-4-ol
SMILESCc1sc2c(C)c(C)c(C)c(O)c2c1C
InChIInChI=1S/C13H16OS/c1-6-7(2)12(14)11-9(4)10(5)15-13(11)8(6)3/h14H,1-5H3
InChIKeyXZFHALHVTDBANP-UHFFFAOYSA-N
XLogP4.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6,7-pentamethyl-1-benzothiophen-4-ol?
The IUPAC name of 2,3,5,6,7-pentamethyl-1-benzothiophen-4-ol (CID 20583109) is 2,3,5,6,7-pentamethyl-1-benzothiophen-4-ol.
What is the SMILES notation for 2,3,5,6,7-pentamethyl-1-benzothiophen-4-ol?
The canonical SMILES for 2,3,5,6,7-pentamethyl-1-benzothiophen-4-ol is Cc1sc2c(C)c(C)c(C)c(O)c2c1C.
What is the InChIKey of 2,3,5,6,7-pentamethyl-1-benzothiophen-4-ol?
The InChIKey is XZFHALHVTDBANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16OS/c1-6-7(2)12(14)11-9(4)10(5)15-13(11)8(6)3/h14H,1-5H3.
What are the key properties of 2,3,5,6,7-pentamethyl-1-benzothiophen-4-ol?
2,3,5,6,7-pentamethyl-1-benzothiophen-4-ol has a molecular weight of 220.34 g/mol, XLogP of 4.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6,7-pentamethyl-1-benzothiophen-4-ol is sourced from PubChem (CID 20583109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).