4-[2-(4-methylphenyl)sulfonylethyl]phenol

C15H16O3S — CID 141218535

IUPAC4-[2-(4-methylphenyl)sulfonylethyl]phenol
SMILESCc1ccc(S(=O)(=O)CCc2ccc(O)cc2)cc1
InChIInChI=1S/C15H16O3S/c1-12-2-8-15(9-3-12)19(17,18)11-10-13-4-6-14(16)7-5-13/h2-9,16H,10-11H2,1H3
InChIKeyBUZMJHDWIVQGDX-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.72
Rot. Bonds4

About 4-[2-(4-methylphenyl)sulfonylethyl]phenol

4-[2-(4-methylphenyl)sulfonylethyl]phenol (PubChem CID 141218535) has the molecular formula C15H16O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is 4-[2-(4-methylphenyl)sulfonylethyl]phenol.

Molecular Properties

Compound Name4-[2-(4-methylphenyl)sulfonylethyl]phenol
PubChem CID141218535
Molecular FormulaC15H16O3S
Molecular Weight276.36 g/mol
Exact Mass276.08
IUPAC Name4-[2-(4-methylphenyl)sulfonylethyl]phenol
SMILESCc1ccc(S(=O)(=O)CCc2ccc(O)cc2)cc1
InChIInChI=1S/C15H16O3S/c1-12-2-8-15(9-3-12)19(17,18)11-10-13-4-6-14(16)7-5-13/h2-9,16H,10-11H2,1H3
InChIKeyBUZMJHDWIVQGDX-UHFFFAOYSA-N
XLogP2.72
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(benzenesulfonyl)ethyl]-4-methylbenzene;ethane
CID 158891776
2-(4-hydroxyphenyl)ethyl 4-methylbenzenesulfonate
CID 11460554
N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 10424386
1-methyl-4-[2-[2-(4-methylphenyl)ethylsulfonyl]ethyl]benzene
CID 70410777
2-(4-methylphenyl)sulfonylethanesulfonic acid
CID 21412922
1-methyl-4-[16-(4-methylphenyl)sulfonylhexadecylsulfonyl]benzene
CID 67740861
1-methyl-4-[19-(4-methylphenyl)sulfonylnonadecylsulfonyl]benzene
CID 67740848
4-[[4-[(4-hydroxyphenyl)methylsulfonyl]phenyl]sulfonylmethyl]phenol
CID 70503031
(4-methylphenyl)methyl 3-(4-methylphenyl)sulfonylpropanoate
CID 55303928
N-[3-(4-hydroxyphenyl)propyl]-1-(4-methylphenyl)methanesulfonamide
CID 110603663
N-[4-(4-methylphenyl)butyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 110307738
2-(4-hydroxyphenyl)ethanesulfonyl iodide
CID 155006833

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylphenyl)sulfonylethyl]phenol?
The IUPAC name of 4-[2-(4-methylphenyl)sulfonylethyl]phenol (CID 141218535) is 4-[2-(4-methylphenyl)sulfonylethyl]phenol.
What is the SMILES notation for 4-[2-(4-methylphenyl)sulfonylethyl]phenol?
The canonical SMILES for 4-[2-(4-methylphenyl)sulfonylethyl]phenol is Cc1ccc(S(=O)(=O)CCc2ccc(O)cc2)cc1.
What is the InChIKey of 4-[2-(4-methylphenyl)sulfonylethyl]phenol?
The InChIKey is BUZMJHDWIVQGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3S/c1-12-2-8-15(9-3-12)19(17,18)11-10-13-4-6-14(16)7-5-13/h2-9,16H,10-11H2,1H3.
What are the key properties of 4-[2-(4-methylphenyl)sulfonylethyl]phenol?
4-[2-(4-methylphenyl)sulfonylethyl]phenol has a molecular weight of 276.36 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylphenyl)sulfonylethyl]phenol is sourced from PubChem (CID 141218535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).