2-(3-ethyl-4-hydroxyphenyl)-1-benzothiophen-6-ol

C16H14O2S — CID 10901682

IUPAC2-(3-ethyl-4-hydroxyphenyl)-1-benzothiophen-6-ol
SMILESCCc1cc(-c2cc3ccc(O)cc3s2)ccc1O
InChIInChI=1S/C16H14O2S/c1-2-10-7-11(4-6-14(10)18)15-8-12-3-5-13(17)9-16(12)19-15/h3-9,17-18H,2H2,1H3
InChIKeyARGUEPADMHUSFC-UHFFFAOYSA-N
MW270.35 g/mol
LogP4.54
Rot. Bonds2

About 2-(3-ethyl-4-hydroxyphenyl)-1-benzothiophen-6-ol

2-(3-ethyl-4-hydroxyphenyl)-1-benzothiophen-6-ol (PubChem CID 10901682) has the molecular formula C16H14O2S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-(3-ethyl-4-hydroxyphenyl)-1-benzothiophen-6-ol.

Molecular Properties

Compound Name2-(3-ethyl-4-hydroxyphenyl)-1-benzothiophen-6-ol
PubChem CID10901682
Molecular FormulaC16H14O2S
Molecular Weight270.35 g/mol
Exact Mass270.07
IUPAC Name2-(3-ethyl-4-hydroxyphenyl)-1-benzothiophen-6-ol
SMILESCCc1cc(-c2cc3ccc(O)cc3s2)ccc1O
InChIInChI=1S/C16H14O2S/c1-2-10-7-11(4-6-14(10)18)15-8-12-3-5-13(17)9-16(12)19-15/h3-9,17-18H,2H2,1H3
InChIKeyARGUEPADMHUSFC-UHFFFAOYSA-N
XLogP4.54
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-hydroxyphenyl)-1-benzothiophen-6-ol?
The IUPAC name of 2-(3-ethyl-4-hydroxyphenyl)-1-benzothiophen-6-ol (CID 10901682) is 2-(3-ethyl-4-hydroxyphenyl)-1-benzothiophen-6-ol.
What is the SMILES notation for 2-(3-ethyl-4-hydroxyphenyl)-1-benzothiophen-6-ol?
The canonical SMILES for 2-(3-ethyl-4-hydroxyphenyl)-1-benzothiophen-6-ol is CCc1cc(-c2cc3ccc(O)cc3s2)ccc1O.
What is the InChIKey of 2-(3-ethyl-4-hydroxyphenyl)-1-benzothiophen-6-ol?
The InChIKey is ARGUEPADMHUSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2S/c1-2-10-7-11(4-6-14(10)18)15-8-12-3-5-13(17)9-16(12)19-15/h3-9,17-18H,2H2,1H3.
What are the key properties of 2-(3-ethyl-4-hydroxyphenyl)-1-benzothiophen-6-ol?
2-(3-ethyl-4-hydroxyphenyl)-1-benzothiophen-6-ol has a molecular weight of 270.35 g/mol, XLogP of 4.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-hydroxyphenyl)-1-benzothiophen-6-ol is sourced from PubChem (CID 10901682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).