5-ethylsulfonyl-2-(furan-3-yl)pentan-2-ol

C11H18O4S — CID 115467201

IUPAC5-ethylsulfonyl-2-(furan-3-yl)pentan-2-ol
SMILESCCS(=O)(=O)CCCC(C)(O)c1ccoc1
InChIInChI=1S/C11H18O4S/c1-3-16(13,14)8-4-6-11(2,12)10-5-7-15-9-10/h5,7,9,12H,3-4,6,8H2,1-2H3
InChIKeyLVVNJWDYTFPTQD-UHFFFAOYSA-N
MW246.33 g/mol
LogP1.70
Rot. Bonds6

About 5-ethylsulfonyl-2-(furan-3-yl)pentan-2-ol

5-ethylsulfonyl-2-(furan-3-yl)pentan-2-ol (PubChem CID 115467201) has the molecular formula C11H18O4S and a molecular weight of 246.33 g/mol. Its IUPAC name is 5-ethylsulfonyl-2-(furan-3-yl)pentan-2-ol.

Molecular Properties

Compound Name5-ethylsulfonyl-2-(furan-3-yl)pentan-2-ol
PubChem CID115467201
Molecular FormulaC11H18O4S
Molecular Weight246.33 g/mol
Exact Mass246.09
IUPAC Name5-ethylsulfonyl-2-(furan-3-yl)pentan-2-ol
SMILESCCS(=O)(=O)CCCC(C)(O)c1ccoc1
InChIInChI=1S/C11H18O4S/c1-3-16(13,14)8-4-6-11(2,12)10-5-7-15-9-10/h5,7,9,12H,3-4,6,8H2,1-2H3
InChIKeyLVVNJWDYTFPTQD-UHFFFAOYSA-N
XLogP1.70
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(cyclohexen-1-yl)-1-(furan-3-yl)ethanol
CID 135000512
4-(Furan-3-yl)butane-1-sulfonic acid
CID 23361615
1-(Furan-3-yl)butane-1-sulfonic acid
CID 57161569
2-(5-Methylsulfonylfuran-3-yl)propan-2-ol
CID 132047785
1-(Cyclohexen-1-yl)-1-(furan-3-yl)ethanol
CID 45101600
3-(Furan-3-yl)-1,1-dioxothiolan-3-ol
CID 63947721
1-(Furan-3-yl)-3-methylsulfanylpropan-1-ol
CID 63948750
2-(Furan-3-yl)-3-methylpentan-2-ol
CID 63949771
1-(Furan-3-yl)-4-methylsulfonylbutan-1-one
CID 64161360
1-(Furan-3-yl)-3-methylsulfonylpropan-1-ol
CID 64161960
1-(Furan-3-yl)-3-methylsulfonylpropan-1-one
CID 64162359
1-(Furan-3-yl)-4-methylsulfonylbutan-1-ol
CID 64162361

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-2-(furan-3-yl)pentan-2-ol?
The IUPAC name of 5-ethylsulfonyl-2-(furan-3-yl)pentan-2-ol (CID 115467201) is 5-ethylsulfonyl-2-(furan-3-yl)pentan-2-ol.
What is the SMILES notation for 5-ethylsulfonyl-2-(furan-3-yl)pentan-2-ol?
The canonical SMILES for 5-ethylsulfonyl-2-(furan-3-yl)pentan-2-ol is CCS(=O)(=O)CCCC(C)(O)c1ccoc1.
What is the InChIKey of 5-ethylsulfonyl-2-(furan-3-yl)pentan-2-ol?
The InChIKey is LVVNJWDYTFPTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4S/c1-3-16(13,14)8-4-6-11(2,12)10-5-7-15-9-10/h5,7,9,12H,3-4,6,8H2,1-2H3.
What are the key properties of 5-ethylsulfonyl-2-(furan-3-yl)pentan-2-ol?
5-ethylsulfonyl-2-(furan-3-yl)pentan-2-ol has a molecular weight of 246.33 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-2-(furan-3-yl)pentan-2-ol is sourced from PubChem (CID 115467201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).