1-(4-methylsulfonylphenyl)ethyl acetate

C11H14O4S — CID 174500289

IUPAC1-(4-methylsulfonylphenyl)ethyl acetate
SMILESCC(=O)OC(C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C11H14O4S/c1-8(15-9(2)12)10-4-6-11(7-5-10)16(3,13)14/h4-8H,1-3H3
InChIKeyBAPUALIZENCXAO-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.71
Rot. Bonds3

About 1-(4-methylsulfonylphenyl)ethyl acetate

1-(4-methylsulfonylphenyl)ethyl acetate (PubChem CID 174500289) has the molecular formula C11H14O4S and a molecular weight of 242.30 g/mol. Its IUPAC name is 1-(4-methylsulfonylphenyl)ethyl acetate.

Molecular Properties

Compound Name1-(4-methylsulfonylphenyl)ethyl acetate
PubChem CID174500289
Molecular FormulaC11H14O4S
Molecular Weight242.30 g/mol
Exact Mass242.06
IUPAC Name1-(4-methylsulfonylphenyl)ethyl acetate
SMILESCC(=O)OC(C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C11H14O4S/c1-8(15-9(2)12)10-4-6-11(7-5-10)16(3,13)14/h4-8H,1-3H3
InChIKeyBAPUALIZENCXAO-UHFFFAOYSA-N
XLogP1.71
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;1-(4-sulfamoylphenyl)ethyl acetate
CID 143172857
[(1R)-1-(4-bromophenyl)ethyl] acetate
CID 11770642
1-(4-fluorophenyl)ethyl acetate
CID 11286838
[(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate
CID 76968517
4-(1-acetyloxyethyl)benzoic acid
CID 57306237
[(1R)-1-[4-[4-[(1S)-1-hydroxyethyl]phenyl]phenyl]ethyl] acetate
CID 10334074
ethane;(1S)-1-(4-methylsulfonylphenyl)ethanol
CID 143418064
1-bromo-1-(4-methylsulfonylphenyl)propan-2-one
CID 22943544
1-[4-(4-methoxyphenyl)phenyl]ethyl acetate
CID 14297718
[(1R)-1-[3-[(1R)-1-acetyloxyethyl]phenyl]ethyl] acetate
CID 11776874
(4-methylsulfonylphenyl)-(4-propan-2-ylphenyl)methanone
CID 43625045
1-(4-methylsulfonylphenyl)ethanethiol
CID 43124121

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfonylphenyl)ethyl acetate?
The IUPAC name of 1-(4-methylsulfonylphenyl)ethyl acetate (CID 174500289) is 1-(4-methylsulfonylphenyl)ethyl acetate.
What is the SMILES notation for 1-(4-methylsulfonylphenyl)ethyl acetate?
The canonical SMILES for 1-(4-methylsulfonylphenyl)ethyl acetate is CC(=O)OC(C)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 1-(4-methylsulfonylphenyl)ethyl acetate?
The InChIKey is BAPUALIZENCXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4S/c1-8(15-9(2)12)10-4-6-11(7-5-10)16(3,13)14/h4-8H,1-3H3.
What are the key properties of 1-(4-methylsulfonylphenyl)ethyl acetate?
1-(4-methylsulfonylphenyl)ethyl acetate has a molecular weight of 242.30 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfonylphenyl)ethyl acetate is sourced from PubChem (CID 174500289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).