2-(oxan-4-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanol

C15H22O2S — CID 105090257

IUPAC2-(oxan-4-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanol
SMILESOC(CC1CCOCC1)C1CCCc2sccc21
InChIInChI=1S/C15H22O2S/c16-14(10-11-4-7-17-8-5-11)12-2-1-3-15-13(12)6-9-18-15/h6,9,11-12,14,16H,1-5,7-8,10H2
InChIKeySVCRGGBECXNHGY-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.35
Rot. Bonds3

About 2-(oxan-4-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanol

2-(oxan-4-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanol (PubChem CID 105090257) has the molecular formula C15H22O2S and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-(oxan-4-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanol.

Molecular Properties

Compound Name2-(oxan-4-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanol
PubChem CID105090257
Molecular FormulaC15H22O2S
Molecular Weight266.41 g/mol
Exact Mass266.13
IUPAC Name2-(oxan-4-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanol
SMILESOC(CC1CCOCC1)C1CCCc2sccc21
InChIInChI=1S/C15H22O2S/c16-14(10-11-4-7-17-8-5-11)12-2-1-3-15-13(12)6-9-18-15/h6,9,11-12,14,16H,1-5,7-8,10H2
InChIKeySVCRGGBECXNHGY-UHFFFAOYSA-N
XLogP3.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanol
CID 105090371
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butan-1-ol
CID 105083105
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)hexan-1-ol
CID 105086077
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3-thiophen-3-ylpropan-1-ol
CID 105097836
N-(oxolan-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62842320
2-(3,4-dimethylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanol
CID 105081906
2-cyclopropyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 64906726
2,3-dihydro-1,4-benzodioxin-6-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
CID 105092328
(5-chlorothiophen-2-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
CID 105119690
(4-ethoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
CID 105092056
3-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butan-1-amine
CID 105083065
1-(3-chlorothiophen-2-yl)-2-(oxan-4-yl)ethanol
CID 115789625

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanol?
The IUPAC name of 2-(oxan-4-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanol (CID 105090257) is 2-(oxan-4-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanol.
What is the SMILES notation for 2-(oxan-4-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanol?
The canonical SMILES for 2-(oxan-4-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanol is OC(CC1CCOCC1)C1CCCc2sccc21.
What is the InChIKey of 2-(oxan-4-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanol?
The InChIKey is SVCRGGBECXNHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2S/c16-14(10-11-4-7-17-8-5-11)12-2-1-3-15-13(12)6-9-18-15/h6,9,11-12,14,16H,1-5,7-8,10H2.
What are the key properties of 2-(oxan-4-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanol?
2-(oxan-4-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanol has a molecular weight of 266.41 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanol is sourced from PubChem (CID 105090257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).