2-methoxy-4-[2-(2,4,6-trimethoxyphenyl)ethenylsulfanylmethyl]phenol

C19H22O5S — CID 69119347

IUPAC2-methoxy-4-[2-(2,4,6-trimethoxyphenyl)ethenylsulfanylmethyl]phenol
SMILESCOc1cc(OC)c(C=CSCc2ccc(O)c(OC)c2)c(OC)c1
InChIInChI=1S/C19H22O5S/c1-21-14-10-17(22-2)15(18(11-14)23-3)7-8-25-12-13-5-6-16(20)19(9-13)24-4/h5-11,20H,12H2,1-4H3
InChIKeyYPWINZJIQJOTGS-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.33
Rot. Bonds8

About 2-methoxy-4-[2-(2,4,6-trimethoxyphenyl)ethenylsulfanylmethyl]phenol

2-methoxy-4-[2-(2,4,6-trimethoxyphenyl)ethenylsulfanylmethyl]phenol (PubChem CID 69119347) has the molecular formula C19H22O5S and a molecular weight of 362.45 g/mol. Its IUPAC name is 2-methoxy-4-[2-(2,4,6-trimethoxyphenyl)ethenylsulfanylmethyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[2-(2,4,6-trimethoxyphenyl)ethenylsulfanylmethyl]phenol
PubChem CID69119347
Molecular FormulaC19H22O5S
Molecular Weight362.45 g/mol
Exact Mass362.12
IUPAC Name2-methoxy-4-[2-(2,4,6-trimethoxyphenyl)ethenylsulfanylmethyl]phenol
SMILESCOc1cc(OC)c(C=CSCc2ccc(O)c(OC)c2)c(OC)c1
InChIInChI=1S/C19H22O5S/c1-21-14-10-17(22-2)15(18(11-14)23-3)7-8-25-12-13-5-6-16(20)19(9-13)24-4/h5-11,20H,12H2,1-4H3
InChIKeyYPWINZJIQJOTGS-UHFFFAOYSA-N
XLogP4.33
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-3-[2-(2,4,6-trimethoxyphenyl)ethenylsulfanylmethyl]phenol
CID 69119345
1-(4-hydroxy-3-methoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 85300913
(4-hydroxy-3-methoxyphenyl)methylazanium chloride
CID 11745412
2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfinylmethyl]phenol
CID 11474409
4-(iodomethyl)-2-methoxyphenol
CID 15255516
4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol
CID 22599015
4-(fluoromethyl)-2-methoxyphenol
CID 84650348
4-(aminomethyl)-2-methoxyphenol;hydrobromide
CID 68756614
(E)-3-[[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfanylmethyl]-3-pyridinyl]amino]-1-(4-methylphenyl)prop-2-en-1-one
CID 145244703
2-methoxy-4-prop-2-enylphenol;hydroiodide
CID 172782314
CID 69284850
CID 69284850
(4-hydroxy-3-methoxyphenyl)methylsulfanylurea
CID 174594215

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[2-(2,4,6-trimethoxyphenyl)ethenylsulfanylmethyl]phenol?
The IUPAC name of 2-methoxy-4-[2-(2,4,6-trimethoxyphenyl)ethenylsulfanylmethyl]phenol (CID 69119347) is 2-methoxy-4-[2-(2,4,6-trimethoxyphenyl)ethenylsulfanylmethyl]phenol.
What is the SMILES notation for 2-methoxy-4-[2-(2,4,6-trimethoxyphenyl)ethenylsulfanylmethyl]phenol?
The canonical SMILES for 2-methoxy-4-[2-(2,4,6-trimethoxyphenyl)ethenylsulfanylmethyl]phenol is COc1cc(OC)c(C=CSCc2ccc(O)c(OC)c2)c(OC)c1.
What is the InChIKey of 2-methoxy-4-[2-(2,4,6-trimethoxyphenyl)ethenylsulfanylmethyl]phenol?
The InChIKey is YPWINZJIQJOTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O5S/c1-21-14-10-17(22-2)15(18(11-14)23-3)7-8-25-12-13-5-6-16(20)19(9-13)24-4/h5-11,20H,12H2,1-4H3.
What are the key properties of 2-methoxy-4-[2-(2,4,6-trimethoxyphenyl)ethenylsulfanylmethyl]phenol?
2-methoxy-4-[2-(2,4,6-trimethoxyphenyl)ethenylsulfanylmethyl]phenol has a molecular weight of 362.45 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[2-(2,4,6-trimethoxyphenyl)ethenylsulfanylmethyl]phenol is sourced from PubChem (CID 69119347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).