2-(1-benzothiophen-2-yl)-1-ethoxypropan-2-ol

C13H16O2S — CID 114910761

IUPAC2-(1-benzothiophen-2-yl)-1-ethoxypropan-2-ol
SMILESCCOCC(C)(O)c1cc2ccccc2s1
InChIInChI=1S/C13H16O2S/c1-3-15-9-13(2,14)12-8-10-6-4-5-7-11(10)16-12/h4-8,14H,3,9H2,1-2H3
InChIKeyATTPMXPXRAUZFM-UHFFFAOYSA-N
MW236.34 g/mol
LogP3.15
Rot. Bonds4

About 2-(1-benzothiophen-2-yl)-1-ethoxypropan-2-ol

2-(1-benzothiophen-2-yl)-1-ethoxypropan-2-ol (PubChem CID 114910761) has the molecular formula C13H16O2S and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)-1-ethoxypropan-2-ol.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)-1-ethoxypropan-2-ol
PubChem CID114910761
Molecular FormulaC13H16O2S
Molecular Weight236.34 g/mol
Exact Mass236.09
IUPAC Name2-(1-benzothiophen-2-yl)-1-ethoxypropan-2-ol
SMILESCCOCC(C)(O)c1cc2ccccc2s1
InChIInChI=1S/C13H16O2S/c1-3-15-9-13(2,14)12-8-10-6-4-5-7-11(10)16-12/h4-8,14H,3,9H2,1-2H3
InChIKeyATTPMXPXRAUZFM-UHFFFAOYSA-N
XLogP3.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzothiophen-2-yl)-4-methylhexan-2-ol
CID 114910768
1-(1-benzothiophen-2-yl)-1-bromoethanol
CID 150482026
2-(1-benzothiophen-2-yl)-4-phenylbutan-2-ol
CID 114910872
2-(1-benzothiophen-2-yl)-3-ethylpentan-2-ol
CID 114910806
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]ethanesulfonamide
CID 99980295
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]acetamide
CID 99979783
N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]methanesulfonamide
CID 99980288
2-(ethoxymethyl)-1-benzothiophene
CID 89227680
(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropanoic acid
CID 901528
2-(1-benzothiophen-2-yl)but-3-yn-2-ol
CID 114910879
1-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-(4-ethoxyphenyl)urea
CID 99980812
N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-naphthalen-1-ylacetamide
CID 99980052

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)-1-ethoxypropan-2-ol?
The IUPAC name of 2-(1-benzothiophen-2-yl)-1-ethoxypropan-2-ol (CID 114910761) is 2-(1-benzothiophen-2-yl)-1-ethoxypropan-2-ol.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)-1-ethoxypropan-2-ol?
The canonical SMILES for 2-(1-benzothiophen-2-yl)-1-ethoxypropan-2-ol is CCOCC(C)(O)c1cc2ccccc2s1.
What is the InChIKey of 2-(1-benzothiophen-2-yl)-1-ethoxypropan-2-ol?
The InChIKey is ATTPMXPXRAUZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2S/c1-3-15-9-13(2,14)12-8-10-6-4-5-7-11(10)16-12/h4-8,14H,3,9H2,1-2H3.
What are the key properties of 2-(1-benzothiophen-2-yl)-1-ethoxypropan-2-ol?
2-(1-benzothiophen-2-yl)-1-ethoxypropan-2-ol has a molecular weight of 236.34 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)-1-ethoxypropan-2-ol is sourced from PubChem (CID 114910761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).