1,4-diethoxy-2-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene

C20H24O5S — CID 22136870

IUPAC1,4-diethoxy-2-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene
SMILESCCOc1ccc(OCC)c(/C=C/S(=O)(=O)Cc2ccc(OC)cc2)c1
InChIInChI=1S/C20H24O5S/c1-4-24-19-10-11-20(25-5-2)17(14-19)12-13-26(21,22)15-16-6-8-18(23-3)9-7-16/h6-14H,4-5,15H2,1-3H3/b13-12+
InChIKeyURXLQOMIGRJBKP-OUKQBFOZSA-N
MW376.47 g/mol
LogP4.08
Rot. Bonds9

About 1,4-diethoxy-2-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene

1,4-diethoxy-2-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene (PubChem CID 22136870) has the molecular formula C20H24O5S and a molecular weight of 376.47 g/mol. Its IUPAC name is 1,4-diethoxy-2-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene.

Molecular Properties

Compound Name1,4-diethoxy-2-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene
PubChem CID22136870
Molecular FormulaC20H24O5S
Molecular Weight376.47 g/mol
Exact Mass376.13
IUPAC Name1,4-diethoxy-2-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene
SMILESCCOc1ccc(OCC)c(/C=C/S(=O)(=O)Cc2ccc(OC)cc2)c1
InChIInChI=1S/C20H24O5S/c1-4-24-19-10-11-20(25-5-2)17(14-19)12-13-26(21,22)15-16-6-8-18(23-3)9-7-16/h6-14H,4-5,15H2,1-3H3/b13-12+
InChIKeyURXLQOMIGRJBKP-OUKQBFOZSA-N
XLogP4.08
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.47
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-dimethoxy-2-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene
CID 10132484
4-[2-[(3-ethoxy-4-methoxyphenyl)methylsulfonyl]ethenyl]phenol
CID 173091097
1-[2-(4-fluorophenyl)ethenylsulfonylmethyl]-4-methoxybenzene
CID 54452495
(4-methoxyphenyl) 2,5-diethoxybenzenesulfonate
CID 2282376
3-(2,5-diethoxyphenyl)prop-2-enenitrile
CID 54371745
1-methoxy-4-[[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylmethyl]-2-nitrobenzene
CID 54578536
2-[2-(3-ethoxyphenyl)ethenylsulfonylmethyl]-5-methoxyphenol
CID 173091100
5-[[(E)-2-(3,5-dimethoxyphenyl)ethenyl]sulfonylmethyl]-2-methoxyaniline
CID 54587451
4-ethoxy-2-methoxy-1-[(E)-2-[(Z)-2-phenylethenyl]sulfonylethenyl]benzene
CID 5385021
4-methoxy-2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylmethyl]phenyl]benzenesulfonic acid
CID 173046610
[4-[[(E)-2-(4-ethylsulfonyloxy-3-hydroxyphenyl)ethenyl]sulfonylmethyl]phenyl] ethanesulfonate
CID 175532494
ethane;methyl (E)-3-[5-ethoxy-2-(2-hydroxyethoxy)phenyl]prop-2-enoate
CID 142930615

Frequently Asked Questions

What is the IUPAC name of 1,4-diethoxy-2-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene?
The IUPAC name of 1,4-diethoxy-2-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene (CID 22136870) is 1,4-diethoxy-2-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene.
What is the SMILES notation for 1,4-diethoxy-2-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene?
The canonical SMILES for 1,4-diethoxy-2-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene is CCOc1ccc(OCC)c(/C=C/S(=O)(=O)Cc2ccc(OC)cc2)c1.
What is the InChIKey of 1,4-diethoxy-2-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene?
The InChIKey is URXLQOMIGRJBKP-OUKQBFOZSA-N. The full InChI is InChI=1S/C20H24O5S/c1-4-24-19-10-11-20(25-5-2)17(14-19)12-13-26(21,22)15-16-6-8-18(23-3)9-7-16/h6-14H,4-5,15H2,1-3H3/b13-12+.
What are the key properties of 1,4-diethoxy-2-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene?
1,4-diethoxy-2-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene has a molecular weight of 376.47 g/mol, XLogP of 4.08, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethoxy-2-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene is sourced from PubChem (CID 22136870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).