1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3-thiophen-3-ylpropan-1-ol

C15H18OS2 — CID 105097836

IUPAC1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3-thiophen-3-ylpropan-1-ol
SMILESOC(CCc1ccsc1)C1CCCc2sccc21
InChIInChI=1S/C15H18OS2/c16-14(5-4-11-6-8-17-10-11)12-2-1-3-15-13(12)7-9-18-15/h6-10,12,14,16H,1-5H2
InChIKeyVEWBXHAQGUBLPM-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.22
Rot. Bonds4

About 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3-thiophen-3-ylpropan-1-ol

1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3-thiophen-3-ylpropan-1-ol (PubChem CID 105097836) has the molecular formula C15H18OS2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3-thiophen-3-ylpropan-1-ol.

Molecular Properties

Compound Name1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3-thiophen-3-ylpropan-1-ol
PubChem CID105097836
Molecular FormulaC15H18OS2
Molecular Weight278.44 g/mol
Exact Mass278.08
IUPAC Name1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3-thiophen-3-ylpropan-1-ol
SMILESOC(CCc1ccsc1)C1CCCc2sccc21
InChIInChI=1S/C15H18OS2/c16-14(5-4-11-6-8-17-10-11)12-2-1-3-15-13(12)7-9-18-15/h6-10,12,14,16H,1-5H2
InChIKeyVEWBXHAQGUBLPM-UHFFFAOYSA-N
XLogP4.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 105083105
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CID 63354651
2-cyclopentyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanol
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1-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-3-ylpropan-1-ol
CID 65410166
N-[1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 105137544
2-(oxan-4-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanol
CID 105090257
1-(oxolan-2-yl)-3-thiophen-3-ylpropan-1-ol
CID 65331589
1-cyclohexyl-5-thiophen-3-ylpentan-3-ol
CID 115798364
1-(1,4-dioxan-2-yl)-3-thiophen-3-ylpropan-1-ol
CID 65351236
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-3-thiophen-3-ylpropan-1-ol
CID 79087408
(5-chlorothiophen-2-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
CID 105119690
4-[3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butyl]phenol
CID 62842491

Frequently Asked Questions

What is the IUPAC name of 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3-thiophen-3-ylpropan-1-ol?
The IUPAC name of 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3-thiophen-3-ylpropan-1-ol (CID 105097836) is 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3-thiophen-3-ylpropan-1-ol.
What is the SMILES notation for 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3-thiophen-3-ylpropan-1-ol?
The canonical SMILES for 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3-thiophen-3-ylpropan-1-ol is OC(CCc1ccsc1)C1CCCc2sccc21.
What is the InChIKey of 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3-thiophen-3-ylpropan-1-ol?
The InChIKey is VEWBXHAQGUBLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18OS2/c16-14(5-4-11-6-8-17-10-11)12-2-1-3-15-13(12)7-9-18-15/h6-10,12,14,16H,1-5H2.
What are the key properties of 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3-thiophen-3-ylpropan-1-ol?
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3-thiophen-3-ylpropan-1-ol has a molecular weight of 278.44 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3-thiophen-3-ylpropan-1-ol is sourced from PubChem (CID 105097836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).