4-[(E)-2-[[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]-2-methoxyphenol

C19H20O6S2 — CID 57480449

IUPAC4-[(E)-2-[[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]-2-methoxyphenol
SMILESCOc1cc(/C=C/S(=O)CS(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O
InChIInChI=1S/C19H20O6S2/c1-24-18-11-14(3-5-16(18)20)7-9-26(22)13-27(23)10-8-15-4-6-17(21)19(12-15)25-2/h3-12,20-21H,13H2,1-2H3/b9-7+,10-8+
InChIKeySYELZTPCSQDXMW-FIFLTTCUSA-N
MW408.50 g/mol
LogP3.21
Rot. Bonds8

About 4-[(E)-2-[[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]-2-methoxyphenol

4-[(E)-2-[[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]-2-methoxyphenol (PubChem CID 57480449) has the molecular formula C19H20O6S2 and a molecular weight of 408.50 g/mol. Its IUPAC name is 4-[(E)-2-[[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(E)-2-[[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]-2-methoxyphenol
PubChem CID57480449
Molecular FormulaC19H20O6S2
Molecular Weight408.50 g/mol
Exact Mass408.07
IUPAC Name4-[(E)-2-[[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]-2-methoxyphenol
SMILESCOc1cc(/C=C/S(=O)CS(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O
InChIInChI=1S/C19H20O6S2/c1-24-18-11-14(3-5-16(18)20)7-9-26(22)13-27(23)10-8-15-4-6-17(21)19(12-15)25-2/h3-12,20-21H,13H2,1-2H3/b9-7+,10-8+
InChIKeySYELZTPCSQDXMW-FIFLTTCUSA-N
XLogP3.21
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(E)-2-[[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]-2-methoxyphenol with MolForge

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Related Compounds

(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(Z)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]sulfinylprop-2-enamide
CID 57480509
(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 969516
[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-eneperoxoate
CID 155779332
3-(4-hydroxy-3-methoxyphenyl)prop-2-enal;(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal
CID 172694499
(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione;silver
CID 174575212
4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-methoxyphenol
CID 10377070
4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-methoxyphenol
CID 11406193
4-[2-[[(E)-2-(4-hydroxy-2,6-dimethoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]-3,5-dimethoxyphenol
CID 173037269
ethane;(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal
CID 145227199
benzene;(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 174945129
2-methoxyethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 86717646
4-[(1E,3E)-4-(3,4-dimethoxyphenyl)buta-1,3-dienyl]-2-methoxyphenol
CID 87643823

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]-2-methoxyphenol?
The IUPAC name of 4-[(E)-2-[[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]-2-methoxyphenol (CID 57480449) is 4-[(E)-2-[[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(E)-2-[[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]-2-methoxyphenol?
The canonical SMILES for 4-[(E)-2-[[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]-2-methoxyphenol is COc1cc(/C=C/S(=O)CS(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O.
What is the InChIKey of 4-[(E)-2-[[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]-2-methoxyphenol?
The InChIKey is SYELZTPCSQDXMW-FIFLTTCUSA-N. The full InChI is InChI=1S/C19H20O6S2/c1-24-18-11-14(3-5-16(18)20)7-9-26(22)13-27(23)10-8-15-4-6-17(21)19(12-15)25-2/h3-12,20-21H,13H2,1-2H3/b9-7+,10-8+.
What are the key properties of 4-[(E)-2-[[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]-2-methoxyphenol?
4-[(E)-2-[[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]-2-methoxyphenol has a molecular weight of 408.50 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]-2-methoxyphenol is sourced from PubChem (CID 57480449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).