2-[2-(1-benzothiophen-2-ylmethoxy)phenoxy]ethanol

C17H16O3S — CID 75452842

IUPAC2-[2-(1-benzothiophen-2-ylmethoxy)phenoxy]ethanol
SMILESOCCOc1ccccc1OCc1cc2ccccc2s1
InChIInChI=1S/C17H16O3S/c18-9-10-19-15-6-2-3-7-16(15)20-12-14-11-13-5-1-4-8-17(13)21-14/h1-8,11,18H,9-10,12H2
InChIKeyOHPOZZMNPBEJBJ-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.85
Rot. Bonds6

About 2-[2-(1-benzothiophen-2-ylmethoxy)phenoxy]ethanol

2-[2-(1-benzothiophen-2-ylmethoxy)phenoxy]ethanol (PubChem CID 75452842) has the molecular formula C17H16O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-[2-(1-benzothiophen-2-ylmethoxy)phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-(1-benzothiophen-2-ylmethoxy)phenoxy]ethanol
PubChem CID75452842
Molecular FormulaC17H16O3S
Molecular Weight300.38 g/mol
Exact Mass300.08
IUPAC Name2-[2-(1-benzothiophen-2-ylmethoxy)phenoxy]ethanol
SMILESOCCOc1ccccc1OCc1cc2ccccc2s1
InChIInChI=1S/C17H16O3S/c18-9-10-19-15-6-2-3-7-16(15)20-12-14-11-13-5-1-4-8-17(13)21-14/h1-8,11,18H,9-10,12H2
InChIKeyOHPOZZMNPBEJBJ-UHFFFAOYSA-N
XLogP3.85
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pinacol 5-phenoxymethylbenzo[b]thiophen-2-ylboronate
CID 23655483
ISUPSL-CHO-2-188b
CID 24792630
3-(3,4-Dimethoxyphenyl)-2-(2-methoxyphenyl)-1-benzothiophene
CID 24818799
Isupsl-cho-4-396A
CID 44142398
3-[5,6-Dimethoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]prop-2-yn-1-ol
CID 44202210
ISUPSL-CHO-2-188a
CID 24792629
3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-(4-methoxyphenyl)-1-benzothiophene
CID 25058316
6-[2-(2-Methoxyphenyl)-1-benzothiophen-3-yl]-2,3-dihydro-1,4-benzodioxine
CID 44142460
2-[3-(3,4,5-Trimethoxyphenyl)-1-benzothiophen-2-yl]ethanol
CID 53301500
3-(4-Methoxyphenoxy)benzo[b]thiophene
CID 10824975
3-Phenoxy-2-phenyl-1-benzothiophene
CID 11150817
2-(4-Methoxyphenyl)-3-phenoxy-1-benzothiophene
CID 11163371

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-benzothiophen-2-ylmethoxy)phenoxy]ethanol?
The IUPAC name of 2-[2-(1-benzothiophen-2-ylmethoxy)phenoxy]ethanol (CID 75452842) is 2-[2-(1-benzothiophen-2-ylmethoxy)phenoxy]ethanol.
What is the SMILES notation for 2-[2-(1-benzothiophen-2-ylmethoxy)phenoxy]ethanol?
The canonical SMILES for 2-[2-(1-benzothiophen-2-ylmethoxy)phenoxy]ethanol is OCCOc1ccccc1OCc1cc2ccccc2s1.
What is the InChIKey of 2-[2-(1-benzothiophen-2-ylmethoxy)phenoxy]ethanol?
The InChIKey is OHPOZZMNPBEJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3S/c18-9-10-19-15-6-2-3-7-16(15)20-12-14-11-13-5-1-4-8-17(13)21-14/h1-8,11,18H,9-10,12H2.
What are the key properties of 2-[2-(1-benzothiophen-2-ylmethoxy)phenoxy]ethanol?
2-[2-(1-benzothiophen-2-ylmethoxy)phenoxy]ethanol has a molecular weight of 300.38 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-benzothiophen-2-ylmethoxy)phenoxy]ethanol is sourced from PubChem (CID 75452842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).