1-(1-benzothiophen-7-yl)-2-phenoxyethanol

C16H14O2S — CID 81152772

IUPAC1-(1-benzothiophen-7-yl)-2-phenoxyethanol
SMILESOC(COc1ccccc1)c1cccc2ccsc12
InChIInChI=1S/C16H14O2S/c17-15(11-18-13-6-2-1-3-7-13)14-8-4-5-12-9-10-19-16(12)14/h1-10,15,17H,11H2
InChIKeyKGUPCOFRQLHOLB-UHFFFAOYSA-N
MW270.35 g/mol
LogP4.01
Rot. Bonds4

About 1-(1-benzothiophen-7-yl)-2-phenoxyethanol

1-(1-benzothiophen-7-yl)-2-phenoxyethanol (PubChem CID 81152772) has the molecular formula C16H14O2S and a molecular weight of 270.35 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-yl)-2-phenoxyethanol.

Molecular Properties

Compound Name1-(1-benzothiophen-7-yl)-2-phenoxyethanol
PubChem CID81152772
Molecular FormulaC16H14O2S
Molecular Weight270.35 g/mol
Exact Mass270.07
IUPAC Name1-(1-benzothiophen-7-yl)-2-phenoxyethanol
SMILESOC(COc1ccccc1)c1cccc2ccsc12
InChIInChI=1S/C16H14O2S/c17-15(11-18-13-6-2-1-3-7-13)14-8-4-5-12-9-10-19-16(12)14/h1-10,15,17H,11H2
InChIKeyKGUPCOFRQLHOLB-UHFFFAOYSA-N
XLogP4.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzothiophen-7-yl)-2-pyridin-3-ylethanol
CID 81154090
1-(2-aminophenyl)-2-phenoxyethanol
CID 55055640
1-(1-benzothiophen-7-yl)-2-(tert-butylamino)ethanol
CID 81146470
1-(1-benzothiophen-7-yl)-2-cyclopentylethanol
CID 115827369
1-benzothiophen-7-yl-(3-propoxyphenyl)methanol
CID 81131839
1-(1-benzothiophen-7-yl)-2-(cyclopropylamino)ethanol
CID 81146469
1-(1-benzothiophen-7-yl)-3-(4-methylphenyl)propan-1-ol
CID 105119163
1-(1-benzothiophen-7-yl)-2-methylpropane-1,2-diol
CID 103448864
1-benzothiophen-7-yl(quinolin-4-yl)methanol
CID 81132794
2-[1-hydroxy-2-(3-hydroxyphenoxy)ethyl]phenol
CID 117243718
1-benzothiophen-7-yl-(2-bromofuran-3-yl)methanol
CID 106859446
1-(1-benzothiophen-7-yl)-2-methylbutan-1-amine
CID 81154241

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-7-yl)-2-phenoxyethanol?
The IUPAC name of 1-(1-benzothiophen-7-yl)-2-phenoxyethanol (CID 81152772) is 1-(1-benzothiophen-7-yl)-2-phenoxyethanol.
What is the SMILES notation for 1-(1-benzothiophen-7-yl)-2-phenoxyethanol?
The canonical SMILES for 1-(1-benzothiophen-7-yl)-2-phenoxyethanol is OC(COc1ccccc1)c1cccc2ccsc12.
What is the InChIKey of 1-(1-benzothiophen-7-yl)-2-phenoxyethanol?
The InChIKey is KGUPCOFRQLHOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2S/c17-15(11-18-13-6-2-1-3-7-13)14-8-4-5-12-9-10-19-16(12)14/h1-10,15,17H,11H2.
What are the key properties of 1-(1-benzothiophen-7-yl)-2-phenoxyethanol?
1-(1-benzothiophen-7-yl)-2-phenoxyethanol has a molecular weight of 270.35 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-7-yl)-2-phenoxyethanol is sourced from PubChem (CID 81152772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).