1-(2,3-dihydrofuran-5-yl)-2-methylsulfonylpropan-1-ol

C8H14O4S — CID 102653958

IUPAC1-(2,3-dihydrofuran-5-yl)-2-methylsulfonylpropan-1-ol
SMILESCC(C(O)C1=CCCO1)S(C)(=O)=O
InChIInChI=1S/C8H14O4S/c1-6(13(2,10)11)8(9)7-4-3-5-12-7/h4,6,8-9H,3,5H2,1-2H3
InChIKeyOMZPNMCPBQKUQN-UHFFFAOYSA-N
MW206.26 g/mol
LogP0.08
Rot. Bonds3

About 1-(2,3-dihydrofuran-5-yl)-2-methylsulfonylpropan-1-ol

1-(2,3-dihydrofuran-5-yl)-2-methylsulfonylpropan-1-ol (PubChem CID 102653958) has the molecular formula C8H14O4S and a molecular weight of 206.26 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-2-methylsulfonylpropan-1-ol.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-2-methylsulfonylpropan-1-ol
PubChem CID102653958
Molecular FormulaC8H14O4S
Molecular Weight206.26 g/mol
Exact Mass206.06
IUPAC Name1-(2,3-dihydrofuran-5-yl)-2-methylsulfonylpropan-1-ol
SMILESCC(C(O)C1=CCCO1)S(C)(=O)=O
InChIInChI=1S/C8H14O4S/c1-6(13(2,10)11)8(9)7-4-3-5-12-7/h4,6,8-9H,3,5H2,1-2H3
InChIKeyOMZPNMCPBQKUQN-UHFFFAOYSA-N
XLogP0.08
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2-methylsulfonylpropan-1-ol?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2-methylsulfonylpropan-1-ol (CID 102653958) is 1-(2,3-dihydrofuran-5-yl)-2-methylsulfonylpropan-1-ol.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-2-methylsulfonylpropan-1-ol?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-2-methylsulfonylpropan-1-ol is CC(C(O)C1=CCCO1)S(C)(=O)=O.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-2-methylsulfonylpropan-1-ol?
The InChIKey is OMZPNMCPBQKUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4S/c1-6(13(2,10)11)8(9)7-4-3-5-12-7/h4,6,8-9H,3,5H2,1-2H3.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-2-methylsulfonylpropan-1-ol?
1-(2,3-dihydrofuran-5-yl)-2-methylsulfonylpropan-1-ol has a molecular weight of 206.26 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-5-yl)-2-methylsulfonylpropan-1-ol is sourced from PubChem (CID 102653958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).