2-(ethylsulfonylmethyl)phenol

C9H12O3S — CID 572019

IUPAC2-(ethylsulfonylmethyl)phenol
SMILESCCS(=O)(=O)Cc1ccccc1O
InChIInChI=1S/C9H12O3S/c1-2-13(11,12)7-8-5-3-4-6-9(8)10/h3-6,10H,2,7H2,1H3
InChIKeyPMHBGORIEUVGTQ-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.33
Rot. Bonds3

About 2-(ethylsulfonylmethyl)phenol

2-(ethylsulfonylmethyl)phenol (PubChem CID 572019) has the molecular formula C9H12O3S and a molecular weight of 200.26 g/mol. Its IUPAC name is 2-(ethylsulfonylmethyl)phenol.

Molecular Properties

Compound Name2-(ethylsulfonylmethyl)phenol
PubChem CID572019
Molecular FormulaC9H12O3S
Molecular Weight200.26 g/mol
Exact Mass200.05
IUPAC Name2-(ethylsulfonylmethyl)phenol
SMILESCCS(=O)(=O)Cc1ccccc1O
InChIInChI=1S/C9H12O3S/c1-2-13(11,12)7-8-5-3-4-6-9(8)10/h3-6,10H,2,7H2,1H3
InChIKeyPMHBGORIEUVGTQ-UHFFFAOYSA-N
XLogP1.33
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfonylmethyl)phenol?
The IUPAC name of 2-(ethylsulfonylmethyl)phenol (CID 572019) is 2-(ethylsulfonylmethyl)phenol.
What is the SMILES notation for 2-(ethylsulfonylmethyl)phenol?
The canonical SMILES for 2-(ethylsulfonylmethyl)phenol is CCS(=O)(=O)Cc1ccccc1O.
What is the InChIKey of 2-(ethylsulfonylmethyl)phenol?
The InChIKey is PMHBGORIEUVGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3S/c1-2-13(11,12)7-8-5-3-4-6-9(8)10/h3-6,10H,2,7H2,1H3.
What are the key properties of 2-(ethylsulfonylmethyl)phenol?
2-(ethylsulfonylmethyl)phenol has a molecular weight of 200.26 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfonylmethyl)phenol is sourced from PubChem (CID 572019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).