1-(2,3-dihydrothiophen-3-yl)butan-2-ol

C8H14OS — CID 70317603

IUPAC1-(2,3-dihydrothiophen-3-yl)butan-2-ol
SMILESCCC(O)CC1C=CSC1
InChIInChI=1S/C8H14OS/c1-2-8(9)5-7-3-4-10-6-7/h3-4,7-9H,2,5-6H2,1H3
InChIKeyPOLJYLFDTWFHJH-UHFFFAOYSA-N
MW158.27 g/mol
LogP2.02
Rot. Bonds3

About 1-(2,3-dihydrothiophen-3-yl)butan-2-ol

1-(2,3-dihydrothiophen-3-yl)butan-2-ol (PubChem CID 70317603) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is 1-(2,3-dihydrothiophen-3-yl)butan-2-ol.

Molecular Properties

Compound Name1-(2,3-dihydrothiophen-3-yl)butan-2-ol
PubChem CID70317603
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name1-(2,3-dihydrothiophen-3-yl)butan-2-ol
SMILESCCC(O)CC1C=CSC1
InChIInChI=1S/C8H14OS/c1-2-8(9)5-7-3-4-10-6-7/h3-4,7-9H,2,5-6H2,1H3
InChIKeyPOLJYLFDTWFHJH-UHFFFAOYSA-N
XLogP2.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrothiophen-3-yl)butan-2-ol?
The IUPAC name of 1-(2,3-dihydrothiophen-3-yl)butan-2-ol (CID 70317603) is 1-(2,3-dihydrothiophen-3-yl)butan-2-ol.
What is the SMILES notation for 1-(2,3-dihydrothiophen-3-yl)butan-2-ol?
The canonical SMILES for 1-(2,3-dihydrothiophen-3-yl)butan-2-ol is CCC(O)CC1C=CSC1.
What is the InChIKey of 1-(2,3-dihydrothiophen-3-yl)butan-2-ol?
The InChIKey is POLJYLFDTWFHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS/c1-2-8(9)5-7-3-4-10-6-7/h3-4,7-9H,2,5-6H2,1H3.
What are the key properties of 1-(2,3-dihydrothiophen-3-yl)butan-2-ol?
1-(2,3-dihydrothiophen-3-yl)butan-2-ol has a molecular weight of 158.27 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrothiophen-3-yl)butan-2-ol is sourced from PubChem (CID 70317603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).