2-methylsulfonyl-5-propylphenol

C10H14O3S — CID 174640128

IUPAC2-methylsulfonyl-5-propylphenol
SMILESCCCc1ccc(S(C)(=O)=O)c(O)c1
InChIInChI=1S/C10H14O3S/c1-3-4-8-5-6-10(9(11)7-8)14(2,12)13/h5-7,11H,3-4H2,1-2H3
InChIKeyLCUFGOUZHOKMBC-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.75
Rot. Bonds3

About 2-methylsulfonyl-5-propylphenol

2-methylsulfonyl-5-propylphenol (PubChem CID 174640128) has the molecular formula C10H14O3S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-methylsulfonyl-5-propylphenol.

Molecular Properties

Compound Name2-methylsulfonyl-5-propylphenol
PubChem CID174640128
Molecular FormulaC10H14O3S
Molecular Weight214.29 g/mol
Exact Mass214.07
IUPAC Name2-methylsulfonyl-5-propylphenol
SMILESCCCc1ccc(S(C)(=O)=O)c(O)c1
InChIInChI=1S/C10H14O3S/c1-3-4-8-5-6-10(9(11)7-8)14(2,12)13/h5-7,11H,3-4H2,1-2H3
InChIKeyLCUFGOUZHOKMBC-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-hydroxy-4-methylsulfonylphenyl)propanamide
CID 68518309
5-(4-aminobutyl)-2-methylsulfonylphenol
CID 117360580
2-ethyl-5-propylphenol
CID 522454
azane;4-propylbenzene-1,2-diol;hydrobromide
CID 18923739
2-methyl-5-propylbenzenesulfonic acid
CID 13258131
2-(3-methyl-4-methylsulfonylphenyl)ethanol
CID 117305724
1-(3-hydroxy-4-methylsulfonylphenyl)ethanone
CID 47003472
3,6-dipropylnaphthalene-1-sulfonic acid
CID 101322452
2-ethyl-5-[2-(4-ethyl-3-hydroxyphenyl)ethyl]phenol
CID 138634865
2-(3-fluoro-4-methylsulfonylphenyl)ethanamine
CID 84785221
2-[1-(2-hydroxy-4-propylphenyl)butyl]-5-propylphenol
CID 139833142
(2-hydroxy-5-propylphenyl)methanediol
CID 139434284

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-5-propylphenol?
The IUPAC name of 2-methylsulfonyl-5-propylphenol (CID 174640128) is 2-methylsulfonyl-5-propylphenol.
What is the SMILES notation for 2-methylsulfonyl-5-propylphenol?
The canonical SMILES for 2-methylsulfonyl-5-propylphenol is CCCc1ccc(S(C)(=O)=O)c(O)c1.
What is the InChIKey of 2-methylsulfonyl-5-propylphenol?
The InChIKey is LCUFGOUZHOKMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3S/c1-3-4-8-5-6-10(9(11)7-8)14(2,12)13/h5-7,11H,3-4H2,1-2H3.
What are the key properties of 2-methylsulfonyl-5-propylphenol?
2-methylsulfonyl-5-propylphenol has a molecular weight of 214.29 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-5-propylphenol is sourced from PubChem (CID 174640128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).