2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfinylmethyl]phenol

C19H22O6S — CID 11474409

IUPAC2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfinylmethyl]phenol
SMILESCOc1cc(OC)c(/C=C/S(=O)Cc2ccc(OC)c(O)c2)c(OC)c1
InChIInChI=1S/C19H22O6S/c1-22-14-10-18(24-3)15(19(11-14)25-4)7-8-26(21)12-13-5-6-17(23-2)16(20)9-13/h5-11,20H,12H2,1-4H3/b8-7+
InChIKeyBFVTXEWEIIOMJU-BQYQJAHWSA-N
MW378.45 g/mol
LogP3.35
Rot. Bonds8

About 2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfinylmethyl]phenol

2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfinylmethyl]phenol (PubChem CID 11474409) has the molecular formula C19H22O6S and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfinylmethyl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfinylmethyl]phenol
PubChem CID11474409
Molecular FormulaC19H22O6S
Molecular Weight378.45 g/mol
Exact Mass378.11
IUPAC Name2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfinylmethyl]phenol
SMILESCOc1cc(OC)c(/C=C/S(=O)Cc2ccc(OC)c(O)c2)c(OC)c1
InChIInChI=1S/C19H22O6S/c1-22-14-10-18(24-3)15(19(11-14)25-4)7-8-26(21)12-13-5-6-17(23-2)16(20)9-13/h5-11,20H,12H2,1-4H3/b8-7+
InChIKeyBFVTXEWEIIOMJU-BQYQJAHWSA-N
XLogP3.35
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfinylmethyl]phenyl] trifluoromethanesulfonate
CID 87269860
2-[[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfinylmethyl]phenyl]sulfamoyl]acetic acid
CID 68562399
2-hydroxy-3-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfinylmethyl]phenyl]propanoic acid
CID 67102581
[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfinylmethyl]phenyl] 2-amino-3-hydroxypropanoate
CID 67103049
2-hydroxy-3-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfinylmethyl]phenyl]-2-methylpropanoic acid
CID 150415614
[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfinylmethyl]phenyl] 2,2,3,3,3-pentafluoropropanoate
CID 87269886
[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfinylmethyl]phenyl] 4-chloro-4-oxobutanoate
CID 11340946
diethyl [2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfinylmethyl]phenyl] phosphate
CID 67103179
2-acetyloxy-3-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfinylmethyl]phenyl]propanoic acid
CID 67102457
4-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfinylmethyl]anilino]-2-methyl-4-oxobutanoic acid
CID 68557772
2-methoxy-5-[2-[2-(2,4,6-trimethoxyphenyl)ethenylsulfinyl]butan-2-yl]phenol
CID 69331113
4-[2-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfinylmethyl]anilino]-2-oxoethoxy]-4-oxobutanoic acid
CID 11295573

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfinylmethyl]phenol?
The IUPAC name of 2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfinylmethyl]phenol (CID 11474409) is 2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfinylmethyl]phenol.
What is the SMILES notation for 2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfinylmethyl]phenol?
The canonical SMILES for 2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfinylmethyl]phenol is COc1cc(OC)c(/C=C/S(=O)Cc2ccc(OC)c(O)c2)c(OC)c1.
What is the InChIKey of 2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfinylmethyl]phenol?
The InChIKey is BFVTXEWEIIOMJU-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H22O6S/c1-22-14-10-18(24-3)15(19(11-14)25-4)7-8-26(21)12-13-5-6-17(23-2)16(20)9-13/h5-11,20H,12H2,1-4H3/b8-7+.
What are the key properties of 2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfinylmethyl]phenol?
2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfinylmethyl]phenol has a molecular weight of 378.45 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfinylmethyl]phenol is sourced from PubChem (CID 11474409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).