1,3-dimethoxy-2-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene

C18H20O5S — CID 10132484

IUPAC1,3-dimethoxy-2-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene
SMILESCOc1ccc(CS(=O)(=O)/C=C/c2c(OC)cccc2OC)cc1
InChIInChI=1S/C18H20O5S/c1-21-15-9-7-14(8-10-15)13-24(19,20)12-11-16-17(22-2)5-4-6-18(16)23-3/h4-12H,13H2,1-3H3/b12-11+
InChIKeyBUVKSGAFFQQBIE-VAWYXSNFSA-N
MW348.42 g/mol
LogP3.30
Rot. Bonds7

About 1,3-dimethoxy-2-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene

1,3-dimethoxy-2-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene (PubChem CID 10132484) has the molecular formula C18H20O5S and a molecular weight of 348.42 g/mol. Its IUPAC name is 1,3-dimethoxy-2-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene.

Molecular Properties

Compound Name1,3-dimethoxy-2-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene
PubChem CID10132484
Molecular FormulaC18H20O5S
Molecular Weight348.42 g/mol
Exact Mass348.10
IUPAC Name1,3-dimethoxy-2-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene
SMILESCOc1ccc(CS(=O)(=O)/C=C/c2c(OC)cccc2OC)cc1
InChIInChI=1S/C18H20O5S/c1-21-15-9-7-14(8-10-15)13-24(19,20)12-11-16-17(22-2)5-4-6-18(16)23-3/h4-12H,13H2,1-3H3/b12-11+
InChIKeyBUVKSGAFFQQBIE-VAWYXSNFSA-N
XLogP3.30
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(E)-2-(2,6-dimethoxyphenyl)ethenyl]sulfonylmethyl]-5-methoxyaniline
CID 54578767
1-[2-(4-fluorophenyl)ethenylsulfonylmethyl]-4-methoxybenzene
CID 54452495
(E)-2-(2,6-dimethoxyphenyl)-N-(4-methoxyphenyl)ethenesulfonamide
CID 71745323
1,2,3-trimethoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylmethyl]benzene
CID 74057519
1,4-diethoxy-2-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene
CID 22136870
(Z)-4-(2,6-dimethoxyphenyl)-1-[(E)-2-(2,6-dimethoxyphenyl)ethenyl]sulfonylbut-3-en-2-one
CID 57480438
1-methoxy-4-[[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylmethyl]-2-nitrobenzene
CID 54578536
4-methoxy-2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylmethyl]phenyl]benzenesulfonic acid
CID 173046610
methyl N-[2-methoxy-5-[[(Z)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]carbamate
CID 142801174
2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylmethyl]phenyl]guanidine
CID 85096180
5-[[(E)-2-(3,5-dimethoxyphenyl)ethenyl]sulfonylmethyl]-2-methoxyaniline
CID 54587451
[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl] 2-aminoacetate
CID 11396794

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-2-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene?
The IUPAC name of 1,3-dimethoxy-2-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene (CID 10132484) is 1,3-dimethoxy-2-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene.
What is the SMILES notation for 1,3-dimethoxy-2-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene?
The canonical SMILES for 1,3-dimethoxy-2-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene is COc1ccc(CS(=O)(=O)/C=C/c2c(OC)cccc2OC)cc1.
What is the InChIKey of 1,3-dimethoxy-2-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene?
The InChIKey is BUVKSGAFFQQBIE-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H20O5S/c1-21-15-9-7-14(8-10-15)13-24(19,20)12-11-16-17(22-2)5-4-6-18(16)23-3/h4-12H,13H2,1-3H3/b12-11+.
What are the key properties of 1,3-dimethoxy-2-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene?
1,3-dimethoxy-2-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene has a molecular weight of 348.42 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-2-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene is sourced from PubChem (CID 10132484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).