2-(2-methylsulfonylpropyl)phenol

C10H14O3S — CID 115028803

IUPAC2-(2-methylsulfonylpropyl)phenol
SMILESCC(Cc1ccccc1O)S(C)(=O)=O
InChIInChI=1S/C10H14O3S/c1-8(14(2,12)13)7-9-5-3-4-6-10(9)11/h3-6,8,11H,7H2,1-2H3
InChIKeyCEDARROCIQDFFH-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.37
Rot. Bonds3

About 2-(2-methylsulfonylpropyl)phenol

2-(2-methylsulfonylpropyl)phenol (PubChem CID 115028803) has the molecular formula C10H14O3S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-(2-methylsulfonylpropyl)phenol.

Molecular Properties

Compound Name2-(2-methylsulfonylpropyl)phenol
PubChem CID115028803
Molecular FormulaC10H14O3S
Molecular Weight214.29 g/mol
Exact Mass214.07
IUPAC Name2-(2-methylsulfonylpropyl)phenol
SMILESCC(Cc1ccccc1O)S(C)(=O)=O
InChIInChI=1S/C10H14O3S/c1-8(14(2,12)13)7-9-5-3-4-6-10(9)11/h3-6,8,11H,7H2,1-2H3
InChIKeyCEDARROCIQDFFH-UHFFFAOYSA-N
XLogP1.37
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-diaminobutyl)phenol
CID 134347246
2-(2-methylpropyl)phenol;propane
CID 158609255
2-(2-hydroxy-3-methylbutyl)phenol
CID 130034512
2-(2-isocyanopropyl)phenol
CID 105431640
2-[(2-hydroxyphenyl)methylsulfamoyl]propanoic acid
CID 114331355
2-[(2-hydroxyphenyl)methylsulfonylmethyl]phenol
CID 54347733
(2S)-1-naphthalen-1-ylpropane-2-sulfonamide
CID 125482966
ethyl 2-amino-3-(2-hydroxyphenyl)propanoate
CID 14009054
2-[3,3-bis(2-hydroxyphenyl)-2-methylpropyl]phenol
CID 154087711
2-hydroxy-3-(2-hydroxyphenyl)propane-1-sulfonic acid
CID 115038803
benzene;2-ethylphenol
CID 159726745
ethyl 2-amino-3-(2-hydroxyphenyl)propanoate;hydrochloride
CID 86133997

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfonylpropyl)phenol?
The IUPAC name of 2-(2-methylsulfonylpropyl)phenol (CID 115028803) is 2-(2-methylsulfonylpropyl)phenol.
What is the SMILES notation for 2-(2-methylsulfonylpropyl)phenol?
The canonical SMILES for 2-(2-methylsulfonylpropyl)phenol is CC(Cc1ccccc1O)S(C)(=O)=O.
What is the InChIKey of 2-(2-methylsulfonylpropyl)phenol?
The InChIKey is CEDARROCIQDFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3S/c1-8(14(2,12)13)7-9-5-3-4-6-10(9)11/h3-6,8,11H,7H2,1-2H3.
What are the key properties of 2-(2-methylsulfonylpropyl)phenol?
2-(2-methylsulfonylpropyl)phenol has a molecular weight of 214.29 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfonylpropyl)phenol is sourced from PubChem (CID 115028803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).