4-[2-[(3-ethoxy-4-methoxyphenyl)methylsulfonyl]ethenyl]phenol

C18H20O5S — CID 173091097

IUPAC4-[2-[(3-ethoxy-4-methoxyphenyl)methylsulfonyl]ethenyl]phenol
SMILESCCOc1cc(CS(=O)(=O)C=Cc2ccc(O)cc2)ccc1OC
InChIInChI=1S/C18H20O5S/c1-3-23-18-12-15(6-9-17(18)22-2)13-24(20,21)11-10-14-4-7-16(19)8-5-14/h4-12,19H,3,13H2,1-2H3
InChIKeyBGQOQEAWKUXVRI-UHFFFAOYSA-N
MW348.42 g/mol
LogP3.39
Rot. Bonds7

About 4-[2-[(3-ethoxy-4-methoxyphenyl)methylsulfonyl]ethenyl]phenol

4-[2-[(3-ethoxy-4-methoxyphenyl)methylsulfonyl]ethenyl]phenol (PubChem CID 173091097) has the molecular formula C18H20O5S and a molecular weight of 348.42 g/mol. Its IUPAC name is 4-[2-[(3-ethoxy-4-methoxyphenyl)methylsulfonyl]ethenyl]phenol.

Molecular Properties

Compound Name4-[2-[(3-ethoxy-4-methoxyphenyl)methylsulfonyl]ethenyl]phenol
PubChem CID173091097
Molecular FormulaC18H20O5S
Molecular Weight348.42 g/mol
Exact Mass348.10
IUPAC Name4-[2-[(3-ethoxy-4-methoxyphenyl)methylsulfonyl]ethenyl]phenol
SMILESCCOc1cc(CS(=O)(=O)C=Cc2ccc(O)cc2)ccc1OC
InChIInChI=1S/C18H20O5S/c1-3-23-18-12-15(6-9-17(18)22-2)13-24(20,21)11-10-14-4-7-16(19)8-5-14/h4-12,19H,3,13H2,1-2H3
InChIKeyBGQOQEAWKUXVRI-UHFFFAOYSA-N
XLogP3.39
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,4-dimethoxyphenyl)methanol;5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
CID 174906852
1,4-diethoxy-2-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene
CID 22136870
1-methoxy-4-[[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylmethyl]-2-nitrobenzene
CID 54578536
5-[[(E)-2-(3,5-dimethoxyphenyl)ethenyl]sulfonylmethyl]-2-methoxyaniline
CID 54587451
(4-ethoxy-3-methoxyphenyl)methanesulfonyl chloride
CID 165446004
2-(3-ethoxy-4-methoxyphenyl)acetic acid
CID 7144569
[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl] 3,5-diaminobenzoate
CID 11443926
[4-[[(E)-2-(4-ethylsulfonyloxy-3-hydroxyphenyl)ethenyl]sulfonylmethyl]phenyl] ethanesulfonate
CID 175532494
(E)-N-[(3,4-dimethoxyphenyl)methyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 9241050
2-[(3-ethoxy-4-methoxyphenyl)methylsulfonyl]isoindole-1,3-dione
CID 68612974
1-[2-(4-fluorophenyl)ethenylsulfonylmethyl]-4-methoxybenzene
CID 54452495
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-ethoxy-4-methoxyphenyl)methylsulfonyl]ethenyl]phenol?
The IUPAC name of 4-[2-[(3-ethoxy-4-methoxyphenyl)methylsulfonyl]ethenyl]phenol (CID 173091097) is 4-[2-[(3-ethoxy-4-methoxyphenyl)methylsulfonyl]ethenyl]phenol.
What is the SMILES notation for 4-[2-[(3-ethoxy-4-methoxyphenyl)methylsulfonyl]ethenyl]phenol?
The canonical SMILES for 4-[2-[(3-ethoxy-4-methoxyphenyl)methylsulfonyl]ethenyl]phenol is CCOc1cc(CS(=O)(=O)C=Cc2ccc(O)cc2)ccc1OC.
What is the InChIKey of 4-[2-[(3-ethoxy-4-methoxyphenyl)methylsulfonyl]ethenyl]phenol?
The InChIKey is BGQOQEAWKUXVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O5S/c1-3-23-18-12-15(6-9-17(18)22-2)13-24(20,21)11-10-14-4-7-16(19)8-5-14/h4-12,19H,3,13H2,1-2H3.
What are the key properties of 4-[2-[(3-ethoxy-4-methoxyphenyl)methylsulfonyl]ethenyl]phenol?
4-[2-[(3-ethoxy-4-methoxyphenyl)methylsulfonyl]ethenyl]phenol has a molecular weight of 348.42 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3-ethoxy-4-methoxyphenyl)methylsulfonyl]ethenyl]phenol is sourced from PubChem (CID 173091097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).