4-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenol

C18H20O6S — CID 24754532

IUPAC4-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenol
SMILESCOc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(O)cc2)c(OC)c1
InChIInChI=1S/C18H20O6S/c1-22-15-10-17(23-2)16(18(11-15)24-3)8-9-25(20,21)12-13-4-6-14(19)7-5-13/h4-11,19H,12H2,1-3H3/b9-8+
InChIKeyOFNAWGSEZYGKMN-CMDGGOBGSA-N
MW364.42 g/mol
LogP3.00
Rot. Bonds7

About 4-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenol

4-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenol (PubChem CID 24754532) has the molecular formula C18H20O6S and a molecular weight of 364.42 g/mol. Its IUPAC name is 4-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenol.

Molecular Properties

Compound Name4-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenol
PubChem CID24754532
Molecular FormulaC18H20O6S
Molecular Weight364.42 g/mol
Exact Mass364.10
IUPAC Name4-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenol
SMILESCOc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(O)cc2)c(OC)c1
InChIInChI=1S/C18H20O6S/c1-22-15-10-17(23-2)16(18(11-15)24-3)8-9-25(20,21)12-13-4-6-14(19)7-5-13/h4-11,19H,12H2,1-3H3/b9-8+
InChIKeyOFNAWGSEZYGKMN-CMDGGOBGSA-N
XLogP3.00
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenol?
The IUPAC name of 4-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenol (CID 24754532) is 4-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenol.
What is the SMILES notation for 4-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenol?
The canonical SMILES for 4-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenol is COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(O)cc2)c(OC)c1.
What is the InChIKey of 4-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenol?
The InChIKey is OFNAWGSEZYGKMN-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H20O6S/c1-22-15-10-17(23-2)16(18(11-15)24-3)8-9-25(20,21)12-13-4-6-14(19)7-5-13/h4-11,19H,12H2,1-3H3/b9-8+.
What are the key properties of 4-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenol?
4-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenol has a molecular weight of 364.42 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenol is sourced from PubChem (CID 24754532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).