1-(furan-3-yl)-5-thiophen-2-ylpentan-2-ol

C13H16O2S — CID 105123144

IUPAC1-(furan-3-yl)-5-thiophen-2-ylpentan-2-ol
SMILESOC(CCCc1cccs1)Cc1ccoc1
InChIInChI=1S/C13H16O2S/c14-12(9-11-6-7-15-10-11)3-1-4-13-5-2-8-16-13/h2,5-8,10,12,14H,1,3-4,9H2
InChIKeyLGBFSMKRQBVNDW-UHFFFAOYSA-N
MW236.34 g/mol
LogP3.27
Rot. Bonds6

About 1-(furan-3-yl)-5-thiophen-2-ylpentan-2-ol

1-(furan-3-yl)-5-thiophen-2-ylpentan-2-ol (PubChem CID 105123144) has the molecular formula C13H16O2S and a molecular weight of 236.34 g/mol. Its IUPAC name is 1-(furan-3-yl)-5-thiophen-2-ylpentan-2-ol.

Molecular Properties

Compound Name1-(furan-3-yl)-5-thiophen-2-ylpentan-2-ol
PubChem CID105123144
Molecular FormulaC13H16O2S
Molecular Weight236.34 g/mol
Exact Mass236.09
IUPAC Name1-(furan-3-yl)-5-thiophen-2-ylpentan-2-ol
SMILESOC(CCCc1cccs1)Cc1ccoc1
InChIInChI=1S/C13H16O2S/c14-12(9-11-6-7-15-10-11)3-1-4-13-5-2-8-16-13/h2,5-8,10,12,14H,1,3-4,9H2
InChIKeyLGBFSMKRQBVNDW-UHFFFAOYSA-N
XLogP3.27
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 63016395
1-(4-chloro-3-fluorophenyl)-5-thiophen-2-ylpentan-2-ol
CID 107894455
6-ethyl-1-thiophen-2-yloctan-4-ol
CID 105122585
1-(2,5-dichlorophenyl)-5-thiophen-2-ylpentan-2-ol
CID 105100465
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7-thiophen-2-ylhept-1-en-4-ol
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Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-5-thiophen-2-ylpentan-2-ol?
The IUPAC name of 1-(furan-3-yl)-5-thiophen-2-ylpentan-2-ol (CID 105123144) is 1-(furan-3-yl)-5-thiophen-2-ylpentan-2-ol.
What is the SMILES notation for 1-(furan-3-yl)-5-thiophen-2-ylpentan-2-ol?
The canonical SMILES for 1-(furan-3-yl)-5-thiophen-2-ylpentan-2-ol is OC(CCCc1cccs1)Cc1ccoc1.
What is the InChIKey of 1-(furan-3-yl)-5-thiophen-2-ylpentan-2-ol?
The InChIKey is LGBFSMKRQBVNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2S/c14-12(9-11-6-7-15-10-11)3-1-4-13-5-2-8-16-13/h2,5-8,10,12,14H,1,3-4,9H2.
What are the key properties of 1-(furan-3-yl)-5-thiophen-2-ylpentan-2-ol?
1-(furan-3-yl)-5-thiophen-2-ylpentan-2-ol has a molecular weight of 236.34 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-5-thiophen-2-ylpentan-2-ol is sourced from PubChem (CID 105123144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).