1,2,3-trimethoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylmethyl]benzene

C21H26O8S — CID 74057519

IUPAC1,2,3-trimethoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylmethyl]benzene
SMILESCOc1cc(OC)c(C=CS(=O)(=O)Cc2cc(OC)c(OC)c(OC)c2)c(OC)c1
InChIInChI=1S/C21H26O8S/c1-24-15-11-17(25-2)16(18(12-15)26-3)7-8-30(22,23)13-14-9-19(27-4)21(29-6)20(10-14)28-5/h7-12H,13H2,1-6H3
InChIKeyHVCSNRBEYZDBMD-UHFFFAOYSA-N
MW438.50 g/mol
LogP3.32
Rot. Bonds10

About 1,2,3-trimethoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylmethyl]benzene

1,2,3-trimethoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylmethyl]benzene (PubChem CID 74057519) has the molecular formula C21H26O8S and a molecular weight of 438.50 g/mol. Its IUPAC name is 1,2,3-trimethoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylmethyl]benzene.

Molecular Properties

Compound Name1,2,3-trimethoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylmethyl]benzene
PubChem CID74057519
Molecular FormulaC21H26O8S
Molecular Weight438.50 g/mol
Exact Mass438.13
IUPAC Name1,2,3-trimethoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylmethyl]benzene
SMILESCOc1cc(OC)c(C=CS(=O)(=O)Cc2cc(OC)c(OC)c(OC)c2)c(OC)c1
InChIInChI=1S/C21H26O8S/c1-24-15-11-17(25-2)16(18(12-15)26-3)7-8-30(22,23)13-14-9-19(27-4)21(29-6)20(10-14)28-5/h7-12H,13H2,1-6H3
InChIKeyHVCSNRBEYZDBMD-UHFFFAOYSA-N
XLogP3.32
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl] 2-aminoacetate
CID 11396794
2-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]anilino]acetic acid
CID 6918736
[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl] 2,2-difluoroacetate
CID 11751795
4-methoxy-2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylmethyl]phenyl]benzenesulfonic acid
CID 173046610
[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]sulfonyl-methylcarbamic acid
CID 87201914
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
1,3-dimethoxy-2-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene
CID 10132484
[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl] 3,5-diaminobenzoate
CID 11443926
[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylmethyl]phenyl] (2S)-2-amino-3-hydroxypropanoate
CID 90827301
sodium;hydride;2-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]anilino]acetic acid
CID 173010380
methyl N-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylmethyl]phenyl]-N-methylcarbamate
CID 171137401

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylmethyl]benzene?
The IUPAC name of 1,2,3-trimethoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylmethyl]benzene (CID 74057519) is 1,2,3-trimethoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylmethyl]benzene.
What is the SMILES notation for 1,2,3-trimethoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylmethyl]benzene?
The canonical SMILES for 1,2,3-trimethoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylmethyl]benzene is COc1cc(OC)c(C=CS(=O)(=O)Cc2cc(OC)c(OC)c(OC)c2)c(OC)c1.
What is the InChIKey of 1,2,3-trimethoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylmethyl]benzene?
The InChIKey is HVCSNRBEYZDBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O8S/c1-24-15-11-17(25-2)16(18(12-15)26-3)7-8-30(22,23)13-14-9-19(27-4)21(29-6)20(10-14)28-5/h7-12H,13H2,1-6H3.
What are the key properties of 1,2,3-trimethoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylmethyl]benzene?
1,2,3-trimethoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylmethyl]benzene has a molecular weight of 438.50 g/mol, XLogP of 3.32, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylmethyl]benzene is sourced from PubChem (CID 74057519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).