2-(1-phenylpropylsulfonyl)ethanol

C11H16O3S — CID 71857010

IUPAC2-(1-phenylpropylsulfonyl)ethanol
SMILESCCC(c1ccccc1)S(=O)(=O)CCO
InChIInChI=1S/C11H16O3S/c1-2-11(15(13,14)9-8-12)10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3
InChIKeyLXWVVDKLUANMJL-UHFFFAOYSA-N
MW228.31 g/mol
LogP1.54
Rot. Bonds5

About 2-(1-phenylpropylsulfonyl)ethanol

2-(1-phenylpropylsulfonyl)ethanol (PubChem CID 71857010) has the molecular formula C11H16O3S and a molecular weight of 228.31 g/mol. Its IUPAC name is 2-(1-phenylpropylsulfonyl)ethanol.

Molecular Properties

Compound Name2-(1-phenylpropylsulfonyl)ethanol
PubChem CID71857010
Molecular FormulaC11H16O3S
Molecular Weight228.31 g/mol
Exact Mass228.08
IUPAC Name2-(1-phenylpropylsulfonyl)ethanol
SMILESCCC(c1ccccc1)S(=O)(=O)CCO
InChIInChI=1S/C11H16O3S/c1-2-11(15(13,14)9-8-12)10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3
InChIKeyLXWVVDKLUANMJL-UHFFFAOYSA-N
XLogP1.54
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylpropylsulfonyl)ethanol?
The IUPAC name of 2-(1-phenylpropylsulfonyl)ethanol (CID 71857010) is 2-(1-phenylpropylsulfonyl)ethanol.
What is the SMILES notation for 2-(1-phenylpropylsulfonyl)ethanol?
The canonical SMILES for 2-(1-phenylpropylsulfonyl)ethanol is CCC(c1ccccc1)S(=O)(=O)CCO.
What is the InChIKey of 2-(1-phenylpropylsulfonyl)ethanol?
The InChIKey is LXWVVDKLUANMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3S/c1-2-11(15(13,14)9-8-12)10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3.
What are the key properties of 2-(1-phenylpropylsulfonyl)ethanol?
2-(1-phenylpropylsulfonyl)ethanol has a molecular weight of 228.31 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylpropylsulfonyl)ethanol is sourced from PubChem (CID 71857010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).