2-[(Z)-2-[[(E)-2-(2,6-dimethoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]-1,3-dimethoxybenzene

C21H24O6S2 — CID 87228066

IUPAC2-[(Z)-2-[[(E)-2-(2,6-dimethoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]-1,3-dimethoxybenzene
SMILESCOc1cccc(OC)c1/C=C\S(=O)CS(=O)/C=C/c1c(OC)cccc1OC
InChIInChI=1S/C21H24O6S2/c1-24-18-7-5-8-19(25-2)16(18)11-13-28(22)15-29(23)14-12-17-20(26-3)9-6-10-21(17)27-4/h5-14H,15H2,1-4H3/b13-11-,14-12+
InChIKeyXDLJAOWDILQXSD-HEEUSZRZSA-N
MW436.55 g/mol
LogP3.82
Rot. Bonds10

About 2-[(Z)-2-[[(E)-2-(2,6-dimethoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]-1,3-dimethoxybenzene

2-[(Z)-2-[[(E)-2-(2,6-dimethoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]-1,3-dimethoxybenzene (PubChem CID 87228066) has the molecular formula C21H24O6S2 and a molecular weight of 436.55 g/mol. Its IUPAC name is 2-[(Z)-2-[[(E)-2-(2,6-dimethoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]-1,3-dimethoxybenzene.

Molecular Properties

Compound Name2-[(Z)-2-[[(E)-2-(2,6-dimethoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]-1,3-dimethoxybenzene
PubChem CID87228066
Molecular FormulaC21H24O6S2
Molecular Weight436.55 g/mol
Exact Mass436.10
IUPAC Name2-[(Z)-2-[[(E)-2-(2,6-dimethoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]-1,3-dimethoxybenzene
SMILESCOc1cccc(OC)c1/C=C\S(=O)CS(=O)/C=C/c1c(OC)cccc1OC
InChIInChI=1S/C21H24O6S2/c1-24-18-7-5-8-19(25-2)16(18)11-13-28(22)15-29(23)14-12-17-20(26-3)9-6-10-21(17)27-4/h5-14H,15H2,1-4H3/b13-11-,14-12+
InChIKeyXDLJAOWDILQXSD-HEEUSZRZSA-N
XLogP3.82
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(Z)-2-[[(E)-2-(2,6-dimethoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]-1,3-dimethoxybenzene with MolForge

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Related Compounds

4-[2-[[(E)-2-(4-hydroxy-2,6-dimethoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]-3,5-dimethoxyphenol
CID 173037269
3-(2,6-dimethoxyphenyl)prop-2-enal
CID 54191678
ethyl 3-(2,6-dimethoxyphenyl)prop-2-enoate
CID 53401866
ethyl (E)-3-(2,6-dimethoxyphenyl)prop-2-enoate
CID 15183932
(E)-4-(2,6-dimethoxyphenyl)but-3-en-1-amine
CID 116811328
3-methoxy-2-[(E)-prop-1-enyl]aniline
CID 131242530
4-(2,4,6-trimethoxyphenyl)-1-[(Z)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfinylbut-3-en-2-one
CID 69485084
(E)-4-(4-hydroxy-2,6-dimethoxyphenyl)-1-[(E)-2-(4-hydroxy-2,6-dimethoxyphenyl)ethenyl]sulfinylbut-3-en-2-one
CID 57480461
2-ethylsulfinyl-1,3-dimethoxybenzene
CID 54447195
1,3-dimethoxy-2-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene
CID 10132484
methyl (E)-3-[2-(hydroxymethyl)-6-methoxyphenyl]prop-2-enoate
CID 19598060
(Z)-4-(2,6-dimethoxyphenyl)-1-[(E)-2-(2,6-dimethoxyphenyl)ethenyl]sulfonylbut-3-en-2-one
CID 57480438

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-[[(E)-2-(2,6-dimethoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]-1,3-dimethoxybenzene?
The IUPAC name of 2-[(Z)-2-[[(E)-2-(2,6-dimethoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]-1,3-dimethoxybenzene (CID 87228066) is 2-[(Z)-2-[[(E)-2-(2,6-dimethoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]-1,3-dimethoxybenzene.
What is the SMILES notation for 2-[(Z)-2-[[(E)-2-(2,6-dimethoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]-1,3-dimethoxybenzene?
The canonical SMILES for 2-[(Z)-2-[[(E)-2-(2,6-dimethoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]-1,3-dimethoxybenzene is COc1cccc(OC)c1/C=C\S(=O)CS(=O)/C=C/c1c(OC)cccc1OC.
What is the InChIKey of 2-[(Z)-2-[[(E)-2-(2,6-dimethoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]-1,3-dimethoxybenzene?
The InChIKey is XDLJAOWDILQXSD-HEEUSZRZSA-N. The full InChI is InChI=1S/C21H24O6S2/c1-24-18-7-5-8-19(25-2)16(18)11-13-28(22)15-29(23)14-12-17-20(26-3)9-6-10-21(17)27-4/h5-14H,15H2,1-4H3/b13-11-,14-12+.
What are the key properties of 2-[(Z)-2-[[(E)-2-(2,6-dimethoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]-1,3-dimethoxybenzene?
2-[(Z)-2-[[(E)-2-(2,6-dimethoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]-1,3-dimethoxybenzene has a molecular weight of 436.55 g/mol, XLogP of 3.82, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-[[(E)-2-(2,6-dimethoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]-1,3-dimethoxybenzene is sourced from PubChem (CID 87228066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).