1-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-thiophen-2-ylpropan-1-ol

C17H20OS — CID 63773868

IUPAC1-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-thiophen-2-ylpropan-1-ol
SMILESOC(CCc1cccs1)C1CCCc2ccccc21
InChIInChI=1S/C17H20OS/c18-17(11-10-14-7-4-12-19-14)16-9-3-6-13-5-1-2-8-15(13)16/h1-2,4-5,7-8,12,16-18H,3,6,9-11H2
InChIKeyRDDQGODVAAEOHR-UHFFFAOYSA-N
MW272.41 g/mol
LogP4.16
Rot. Bonds4

About 1-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-thiophen-2-ylpropan-1-ol

1-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-thiophen-2-ylpropan-1-ol (PubChem CID 63773868) has the molecular formula C17H20OS and a molecular weight of 272.41 g/mol. Its IUPAC name is 1-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name1-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-thiophen-2-ylpropan-1-ol
PubChem CID63773868
Molecular FormulaC17H20OS
Molecular Weight272.41 g/mol
Exact Mass272.12
IUPAC Name1-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-thiophen-2-ylpropan-1-ol
SMILESOC(CCc1cccs1)C1CCCc2ccccc21
InChIInChI=1S/C17H20OS/c18-17(11-10-14-7-4-12-19-14)16-9-3-6-13-5-1-2-8-15(13)16/h1-2,4-5,7-8,12,16-18H,3,6,9-11H2
InChIKeyRDDQGODVAAEOHR-UHFFFAOYSA-N
XLogP4.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 64906726
1-(2,3-dihydro-1H-inden-1-yl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 65405145
1-(thiolan-2-yl)-3-thiophen-2-ylpropan-1-ol
CID 80623136
3-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-1-ol
CID 82920616
1-(oxan-4-yl)-3-thiophen-2-ylpropan-1-ol
CID 65150255
1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 63247593
1-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-(2-thiophen-2-ylethyl)urea
CID 51302009
2-(2-chlorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 63247324
[1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-thiophen-2-ylpropyl]hydrazine
CID 105308886
1-(2,3-dihydro-1H-inden-1-yl)propan-1-ol
CID 18690782
2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-(2-thiophen-2-ylethyl)acetamide
CID 51565254
1-(2,3-dihydro-1H-inden-1-yl)pent-4-yn-1-ol
CID 65409805

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-thiophen-2-ylpropan-1-ol?
The IUPAC name of 1-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-thiophen-2-ylpropan-1-ol (CID 63773868) is 1-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 1-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 1-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-thiophen-2-ylpropan-1-ol is OC(CCc1cccs1)C1CCCc2ccccc21.
What is the InChIKey of 1-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-thiophen-2-ylpropan-1-ol?
The InChIKey is RDDQGODVAAEOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20OS/c18-17(11-10-14-7-4-12-19-14)16-9-3-6-13-5-1-2-8-15(13)16/h1-2,4-5,7-8,12,16-18H,3,6,9-11H2.
What are the key properties of 1-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-thiophen-2-ylpropan-1-ol?
1-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-thiophen-2-ylpropan-1-ol has a molecular weight of 272.41 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 63773868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).