1-(3,4-diethylphenyl)-2-methylsulfonylpropan-1-ol

C14H22O3S — CID 104521255

IUPAC1-(3,4-diethylphenyl)-2-methylsulfonylpropan-1-ol
SMILESCCc1ccc(C(O)C(C)S(C)(=O)=O)cc1CC
InChIInChI=1S/C14H22O3S/c1-5-11-7-8-13(9-12(11)6-2)14(15)10(3)18(4,16)17/h7-10,14-15H,5-6H2,1-4H3
InChIKeyPABRCZWJGFBPMM-UHFFFAOYSA-N
MW270.39 g/mol
LogP2.28
Rot. Bonds5

About 1-(3,4-diethylphenyl)-2-methylsulfonylpropan-1-ol

1-(3,4-diethylphenyl)-2-methylsulfonylpropan-1-ol (PubChem CID 104521255) has the molecular formula C14H22O3S and a molecular weight of 270.39 g/mol. Its IUPAC name is 1-(3,4-diethylphenyl)-2-methylsulfonylpropan-1-ol.

Molecular Properties

Compound Name1-(3,4-diethylphenyl)-2-methylsulfonylpropan-1-ol
PubChem CID104521255
Molecular FormulaC14H22O3S
Molecular Weight270.39 g/mol
Exact Mass270.13
IUPAC Name1-(3,4-diethylphenyl)-2-methylsulfonylpropan-1-ol
SMILESCCc1ccc(C(O)C(C)S(C)(=O)=O)cc1CC
InChIInChI=1S/C14H22O3S/c1-5-11-7-8-13(9-12(11)6-2)14(15)10(3)18(4,16)17/h7-10,14-15H,5-6H2,1-4H3
InChIKeyPABRCZWJGFBPMM-UHFFFAOYSA-N
XLogP2.28
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethylphenyl)-2-methylsulfonylpropan-1-ol?
The IUPAC name of 1-(3,4-diethylphenyl)-2-methylsulfonylpropan-1-ol (CID 104521255) is 1-(3,4-diethylphenyl)-2-methylsulfonylpropan-1-ol.
What is the SMILES notation for 1-(3,4-diethylphenyl)-2-methylsulfonylpropan-1-ol?
The canonical SMILES for 1-(3,4-diethylphenyl)-2-methylsulfonylpropan-1-ol is CCc1ccc(C(O)C(C)S(C)(=O)=O)cc1CC.
What is the InChIKey of 1-(3,4-diethylphenyl)-2-methylsulfonylpropan-1-ol?
The InChIKey is PABRCZWJGFBPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3S/c1-5-11-7-8-13(9-12(11)6-2)14(15)10(3)18(4,16)17/h7-10,14-15H,5-6H2,1-4H3.
What are the key properties of 1-(3,4-diethylphenyl)-2-methylsulfonylpropan-1-ol?
1-(3,4-diethylphenyl)-2-methylsulfonylpropan-1-ol has a molecular weight of 270.39 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethylphenyl)-2-methylsulfonylpropan-1-ol is sourced from PubChem (CID 104521255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).