1-(oxan-4-yl)-3-thiophen-2-ylpropan-1-ol

C12H18O2S — CID 65150255

IUPAC1-(oxan-4-yl)-3-thiophen-2-ylpropan-1-ol
SMILESOC(CCc1cccs1)C1CCOCC1
InChIInChI=1S/C12H18O2S/c13-12(10-5-7-14-8-6-10)4-3-11-2-1-9-15-11/h1-2,9-10,12-13H,3-8H2
InChIKeyWSSFJTAPCJWVFV-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.47
Rot. Bonds4

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

1-(oxan-4-yl)-3-thiophen-2-ylpropan-1-ol (PubChem CID 65150255) has the molecular formula C12H18O2S and a molecular weight of 226.34 g/mol. Its IUPAC name is 1-(oxan-4-yl)-3-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name1-(oxan-4-yl)-3-thiophen-2-ylpropan-1-ol
PubChem CID65150255
Molecular FormulaC12H18O2S
Molecular Weight226.34 g/mol
Exact Mass226.10
IUPAC Name1-(oxan-4-yl)-3-thiophen-2-ylpropan-1-ol
SMILESOC(CCc1cccs1)C1CCOCC1
InChIInChI=1S/C12H18O2S/c13-12(10-5-7-14-8-6-10)4-3-11-2-1-9-15-11/h1-2,9-10,12-13H,3-8H2
InChIKeyWSSFJTAPCJWVFV-UHFFFAOYSA-N
XLogP2.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxan-4-yl)-4-thiophen-2-ylbutan-1-amine
CID 105147200
1-(thiolan-2-yl)-3-thiophen-2-ylpropan-1-ol
CID 80623136
(S)-oxan-4-yl(thiophen-2-yl)methanol
CID 129368530
N-ethyl-1-(oxan-4-yl)-5-thiophen-2-ylpentan-2-amine
CID 105138838
2-amino-N-methyl-2-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 120795230
N-methyl-1-(oxolan-3-yl)-4-thiophen-2-ylbutan-2-amine
CID 103986936
1-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-thiophen-2-ylpropan-1-ol
CID 63773868
[1-(oxan-4-yl)-2-thiophen-2-ylethyl]hydrazine
CID 105211809
1-(oxan-4-yl)-N-propyl-5-thiophen-2-ylpentan-2-amine
CID 105138604
N-methyl-1-(oxan-4-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62385581
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-thiophen-2-ylethanol
CID 79921737
1-(oxolan-3-yl)-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 115706486

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-3-thiophen-2-ylpropan-1-ol?
The IUPAC name of 1-(oxan-4-yl)-3-thiophen-2-ylpropan-1-ol (CID 65150255) is 1-(oxan-4-yl)-3-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 1-(oxan-4-yl)-3-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 1-(oxan-4-yl)-3-thiophen-2-ylpropan-1-ol is OC(CCc1cccs1)C1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)-3-thiophen-2-ylpropan-1-ol?
The InChIKey is WSSFJTAPCJWVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2S/c13-12(10-5-7-14-8-6-10)4-3-11-2-1-9-15-11/h1-2,9-10,12-13H,3-8H2.
What are the key properties of 1-(oxan-4-yl)-3-thiophen-2-ylpropan-1-ol?
1-(oxan-4-yl)-3-thiophen-2-ylpropan-1-ol has a molecular weight of 226.34 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-3-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 65150255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).