2-methoxy-5-[2-[2-(2,4,6-trimethoxyphenyl)ethenylsulfinyl]butan-2-yl]phenol

C22H28O6S — CID 69331113

IUPAC2-methoxy-5-[2-[2-(2,4,6-trimethoxyphenyl)ethenylsulfinyl]butan-2-yl]phenol
SMILESCCC(C)(c1ccc(OC)c(O)c1)S(=O)C=Cc1c(OC)cc(OC)cc1OC
InChIInChI=1S/C22H28O6S/c1-7-22(2,15-8-9-19(26-4)18(23)12-15)29(24)11-10-17-20(27-5)13-16(25-3)14-21(17)28-6/h8-14,23H,7H2,1-6H3
InChIKeyBMGKGRKNIFWZAY-UHFFFAOYSA-N
MW420.53 g/mol
LogP4.47
Rot. Bonds9

About 2-methoxy-5-[2-[2-(2,4,6-trimethoxyphenyl)ethenylsulfinyl]butan-2-yl]phenol

2-methoxy-5-[2-[2-(2,4,6-trimethoxyphenyl)ethenylsulfinyl]butan-2-yl]phenol (PubChem CID 69331113) has the molecular formula C22H28O6S and a molecular weight of 420.53 g/mol. Its IUPAC name is 2-methoxy-5-[2-[2-(2,4,6-trimethoxyphenyl)ethenylsulfinyl]butan-2-yl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[2-[2-(2,4,6-trimethoxyphenyl)ethenylsulfinyl]butan-2-yl]phenol
PubChem CID69331113
Molecular FormulaC22H28O6S
Molecular Weight420.53 g/mol
Exact Mass420.16
IUPAC Name2-methoxy-5-[2-[2-(2,4,6-trimethoxyphenyl)ethenylsulfinyl]butan-2-yl]phenol
SMILESCCC(C)(c1ccc(OC)c(O)c1)S(=O)C=Cc1c(OC)cc(OC)cc1OC
InChIInChI=1S/C22H28O6S/c1-7-22(2,15-8-9-19(26-4)18(23)12-15)29(24)11-10-17-20(27-5)13-16(25-3)14-21(17)28-6/h8-14,23H,7H2,1-6H3
InChIKeyBMGKGRKNIFWZAY-UHFFFAOYSA-N
XLogP4.47
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 54.47
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]phenol
CID 11474409
tert-butyl (E)-3-(2,4,6-trimethoxyphenyl)prop-2-enoate
CID 42640185
[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfinylmethyl]phenyl] trifluoromethanesulfonate
CID 87269860
2-methoxy-5-(2-methylpentan-2-yl)phenol
CID 23093288
(E)-3-(2,4,6-trimethoxyphenyl)-N-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfinylprop-2-enamide
CID 11554730
4-(2,4,6-trimethoxyphenyl)-1-[(Z)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfinylbut-3-en-2-one
CID 69485084
(NE)-2-methyl-N-[(2,4,6-trimethoxyphenyl)methylidene]propane-2-sulfinamide
CID 135023920
2-hydroxy-3-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfinylmethyl]phenyl]-2-methylpropanoic acid
CID 150415614
diethyl [2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfinylmethyl]phenyl] phosphate
CID 67103179
4-[2-[[(E)-2-(4-hydroxy-2,6-dimethoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]-3,5-dimethoxyphenol
CID 173037269
5-(2-amino-1,1-difluoroethyl)-2-methoxyphenol
CID 105425996
(1E,6E)-1,7-bis(2,4,6-trimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 155805094

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[2-[2-(2,4,6-trimethoxyphenyl)ethenylsulfinyl]butan-2-yl]phenol?
The IUPAC name of 2-methoxy-5-[2-[2-(2,4,6-trimethoxyphenyl)ethenylsulfinyl]butan-2-yl]phenol (CID 69331113) is 2-methoxy-5-[2-[2-(2,4,6-trimethoxyphenyl)ethenylsulfinyl]butan-2-yl]phenol.
What is the SMILES notation for 2-methoxy-5-[2-[2-(2,4,6-trimethoxyphenyl)ethenylsulfinyl]butan-2-yl]phenol?
The canonical SMILES for 2-methoxy-5-[2-[2-(2,4,6-trimethoxyphenyl)ethenylsulfinyl]butan-2-yl]phenol is CCC(C)(c1ccc(OC)c(O)c1)S(=O)C=Cc1c(OC)cc(OC)cc1OC.
What is the InChIKey of 2-methoxy-5-[2-[2-(2,4,6-trimethoxyphenyl)ethenylsulfinyl]butan-2-yl]phenol?
The InChIKey is BMGKGRKNIFWZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O6S/c1-7-22(2,15-8-9-19(26-4)18(23)12-15)29(24)11-10-17-20(27-5)13-16(25-3)14-21(17)28-6/h8-14,23H,7H2,1-6H3.
What are the key properties of 2-methoxy-5-[2-[2-(2,4,6-trimethoxyphenyl)ethenylsulfinyl]butan-2-yl]phenol?
2-methoxy-5-[2-[2-(2,4,6-trimethoxyphenyl)ethenylsulfinyl]butan-2-yl]phenol has a molecular weight of 420.53 g/mol, XLogP of 4.47, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[2-[2-(2,4,6-trimethoxyphenyl)ethenylsulfinyl]butan-2-yl]phenol is sourced from PubChem (CID 69331113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).