1-(5-ethylthiophen-2-yl)-3-thiophen-2-ylpropan-1-ol

C13H16OS2 — CID 65150040

IUPAC1-(5-ethylthiophen-2-yl)-3-thiophen-2-ylpropan-1-ol
SMILESCCc1ccc(C(O)CCc2cccs2)s1
InChIInChI=1S/C13H16OS2/c1-2-10-6-8-13(16-10)12(14)7-5-11-4-3-9-15-11/h3-4,6,8-9,12,14H,2,5,7H2,1H3
InChIKeyDBVLSWQBBASGSR-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.04
Rot. Bonds5

About 1-(5-ethylthiophen-2-yl)-3-thiophen-2-ylpropan-1-ol

1-(5-ethylthiophen-2-yl)-3-thiophen-2-ylpropan-1-ol (PubChem CID 65150040) has the molecular formula C13H16OS2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-3-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-3-thiophen-2-ylpropan-1-ol
PubChem CID65150040
Molecular FormulaC13H16OS2
Molecular Weight252.40 g/mol
Exact Mass252.06
IUPAC Name1-(5-ethylthiophen-2-yl)-3-thiophen-2-ylpropan-1-ol
SMILESCCc1ccc(C(O)CCc2cccs2)s1
InChIInChI=1S/C13H16OS2/c1-2-10-6-8-13(16-10)12(14)7-5-11-4-3-9-15-11/h3-4,6,8-9,12,14H,2,5,7H2,1H3
InChIKeyDBVLSWQBBASGSR-UHFFFAOYSA-N
XLogP4.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-ethylthiophen-2-yl)-3-thiophen-2-ylpropan-1-amine
CID 115861110
1-(5-chlorothiophen-2-yl)-4-thiophen-2-ylbutan-1-ol
CID 105119774
1-(5-ethylthiophen-2-yl)dodecan-1-ol
CID 65426188
4-ethyl-1-thiophen-2-ylhexan-3-ol
CID 65148531
2-(4-ethylphenyl)-1-(5-ethylthiophen-2-yl)ethanol
CID 63896090
1-(5-ethylthiophen-2-yl)-3,3,3-trifluoropropan-1-ol
CID 61100350
1-(3-ethyl-6-methylpyridazin-4-yl)-3-thiophen-2-ylpropan-1-ol
CID 105099329
1-(5-ethylthiophen-2-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 65380761
N-ethyl-1-(5-ethylthiophen-2-yl)-5-thiophen-2-ylpentan-2-amine
CID 105136134
5-methyl-1-thiophen-2-ylheptan-3-ol
CID 115800369
5,5-dimethyl-1-thiophen-2-ylhexane-3,4-diol
CID 103457143
8-thiophen-2-yloctan-4-ol
CID 64516293

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-3-thiophen-2-ylpropan-1-ol?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-3-thiophen-2-ylpropan-1-ol (CID 65150040) is 1-(5-ethylthiophen-2-yl)-3-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-3-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-3-thiophen-2-ylpropan-1-ol is CCc1ccc(C(O)CCc2cccs2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-3-thiophen-2-ylpropan-1-ol?
The InChIKey is DBVLSWQBBASGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16OS2/c1-2-10-6-8-13(16-10)12(14)7-5-11-4-3-9-15-11/h3-4,6,8-9,12,14H,2,5,7H2,1H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-3-thiophen-2-ylpropan-1-ol?
1-(5-ethylthiophen-2-yl)-3-thiophen-2-ylpropan-1-ol has a molecular weight of 252.40 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-3-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 65150040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).