2-[4-(cyclopropylmethylsulfonyl)phenyl]ethanol

C12H16O3S — CID 138573182

IUPAC2-[4-(cyclopropylmethylsulfonyl)phenyl]ethanol
SMILESO=S(=O)(CC1CC1)c1ccc(CCO)cc1
InChIInChI=1S/C12H16O3S/c13-8-7-10-3-5-12(6-4-10)16(14,15)9-11-1-2-11/h3-6,11,13H,1-2,7-9H2
InChIKeyULBDAQKTALJZPX-UHFFFAOYSA-N
MW240.32 g/mol
LogP1.41
Rot. Bonds5

About 2-[4-(cyclopropylmethylsulfonyl)phenyl]ethanol

2-[4-(cyclopropylmethylsulfonyl)phenyl]ethanol (PubChem CID 138573182) has the molecular formula C12H16O3S and a molecular weight of 240.32 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethylsulfonyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[4-(cyclopropylmethylsulfonyl)phenyl]ethanol
PubChem CID138573182
Molecular FormulaC12H16O3S
Molecular Weight240.32 g/mol
Exact Mass240.08
IUPAC Name2-[4-(cyclopropylmethylsulfonyl)phenyl]ethanol
SMILESO=S(=O)(CC1CC1)c1ccc(CCO)cc1
InChIInChI=1S/C12H16O3S/c13-8-7-10-3-5-12(6-4-10)16(14,15)9-11-1-2-11/h3-6,11,13H,1-2,7-9H2
InChIKeyULBDAQKTALJZPX-UHFFFAOYSA-N
XLogP1.41
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethylsulfonyl)phenyl]ethanol?
The IUPAC name of 2-[4-(cyclopropylmethylsulfonyl)phenyl]ethanol (CID 138573182) is 2-[4-(cyclopropylmethylsulfonyl)phenyl]ethanol.
What is the SMILES notation for 2-[4-(cyclopropylmethylsulfonyl)phenyl]ethanol?
The canonical SMILES for 2-[4-(cyclopropylmethylsulfonyl)phenyl]ethanol is O=S(=O)(CC1CC1)c1ccc(CCO)cc1.
What is the InChIKey of 2-[4-(cyclopropylmethylsulfonyl)phenyl]ethanol?
The InChIKey is ULBDAQKTALJZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3S/c13-8-7-10-3-5-12(6-4-10)16(14,15)9-11-1-2-11/h3-6,11,13H,1-2,7-9H2.
What are the key properties of 2-[4-(cyclopropylmethylsulfonyl)phenyl]ethanol?
2-[4-(cyclopropylmethylsulfonyl)phenyl]ethanol has a molecular weight of 240.32 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethylsulfonyl)phenyl]ethanol is sourced from PubChem (CID 138573182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).