2-[4-(methylsulfonylmethyl)phenyl]ethanol

C10H14O3S — CID 117305726

IUPAC2-[4-(methylsulfonylmethyl)phenyl]ethanol
SMILESCS(=O)(=O)Cc1ccc(CCO)cc1
InChIInChI=1S/C10H14O3S/c1-14(12,13)8-10-4-2-9(3-5-10)6-7-11/h2-5,11H,6-8H2,1H3
InChIKeyNDQFLUHGJYNNTJ-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.77
Rot. Bonds4

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

2-[4-(methylsulfonylmethyl)phenyl]ethanol (PubChem CID 117305726) has the molecular formula C10H14O3S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-[4-(methylsulfonylmethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[4-(methylsulfonylmethyl)phenyl]ethanol
PubChem CID117305726
Molecular FormulaC10H14O3S
Molecular Weight214.29 g/mol
Exact Mass214.07
IUPAC Name2-[4-(methylsulfonylmethyl)phenyl]ethanol
SMILESCS(=O)(=O)Cc1ccc(CCO)cc1
InChIInChI=1S/C10H14O3S/c1-14(12,13)8-10-4-2-9(3-5-10)6-7-11/h2-5,11H,6-8H2,1H3
InChIKeyNDQFLUHGJYNNTJ-UHFFFAOYSA-N
XLogP0.77
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(methylsulfonylmethyl)phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylsulfonylmethyl)phenyl]ethanol?
The IUPAC name of 2-[4-(methylsulfonylmethyl)phenyl]ethanol (CID 117305726) is 2-[4-(methylsulfonylmethyl)phenyl]ethanol.
What is the SMILES notation for 2-[4-(methylsulfonylmethyl)phenyl]ethanol?
The canonical SMILES for 2-[4-(methylsulfonylmethyl)phenyl]ethanol is CS(=O)(=O)Cc1ccc(CCO)cc1.
What is the InChIKey of 2-[4-(methylsulfonylmethyl)phenyl]ethanol?
The InChIKey is NDQFLUHGJYNNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3S/c1-14(12,13)8-10-4-2-9(3-5-10)6-7-11/h2-5,11H,6-8H2,1H3.
What are the key properties of 2-[4-(methylsulfonylmethyl)phenyl]ethanol?
2-[4-(methylsulfonylmethyl)phenyl]ethanol has a molecular weight of 214.29 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylsulfonylmethyl)phenyl]ethanol is sourced from PubChem (CID 117305726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).