2-methoxy-3-[2-(2,4,6-trimethoxyphenyl)ethenylsulfanylmethyl]phenol

C19H22O5S — CID 69119345

IUPAC2-methoxy-3-[2-(2,4,6-trimethoxyphenyl)ethenylsulfanylmethyl]phenol
SMILESCOc1cc(OC)c(C=CSCc2cccc(O)c2OC)c(OC)c1
InChIInChI=1S/C19H22O5S/c1-21-14-10-17(22-2)15(18(11-14)23-3)8-9-25-12-13-6-5-7-16(20)19(13)24-4/h5-11,20H,12H2,1-4H3
InChIKeyFGPSOALMHFICCG-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.33
Rot. Bonds8

About 2-methoxy-3-[2-(2,4,6-trimethoxyphenyl)ethenylsulfanylmethyl]phenol

2-methoxy-3-[2-(2,4,6-trimethoxyphenyl)ethenylsulfanylmethyl]phenol (PubChem CID 69119345) has the molecular formula C19H22O5S and a molecular weight of 362.45 g/mol. Its IUPAC name is 2-methoxy-3-[2-(2,4,6-trimethoxyphenyl)ethenylsulfanylmethyl]phenol.

Molecular Properties

Compound Name2-methoxy-3-[2-(2,4,6-trimethoxyphenyl)ethenylsulfanylmethyl]phenol
PubChem CID69119345
Molecular FormulaC19H22O5S
Molecular Weight362.45 g/mol
Exact Mass362.12
IUPAC Name2-methoxy-3-[2-(2,4,6-trimethoxyphenyl)ethenylsulfanylmethyl]phenol
SMILESCOc1cc(OC)c(C=CSCc2cccc(O)c2OC)c(OC)c1
InChIInChI=1S/C19H22O5S/c1-21-14-10-17(22-2)15(18(11-14)23-3)8-9-25-12-13-6-5-7-16(20)19(13)24-4/h5-11,20H,12H2,1-4H3
InChIKeyFGPSOALMHFICCG-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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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[2-(2,4,6-trimethoxyphenyl)ethenylsulfanylmethyl]phenol?
The IUPAC name of 2-methoxy-3-[2-(2,4,6-trimethoxyphenyl)ethenylsulfanylmethyl]phenol (CID 69119345) is 2-methoxy-3-[2-(2,4,6-trimethoxyphenyl)ethenylsulfanylmethyl]phenol.
What is the SMILES notation for 2-methoxy-3-[2-(2,4,6-trimethoxyphenyl)ethenylsulfanylmethyl]phenol?
The canonical SMILES for 2-methoxy-3-[2-(2,4,6-trimethoxyphenyl)ethenylsulfanylmethyl]phenol is COc1cc(OC)c(C=CSCc2cccc(O)c2OC)c(OC)c1.
What is the InChIKey of 2-methoxy-3-[2-(2,4,6-trimethoxyphenyl)ethenylsulfanylmethyl]phenol?
The InChIKey is FGPSOALMHFICCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O5S/c1-21-14-10-17(22-2)15(18(11-14)23-3)8-9-25-12-13-6-5-7-16(20)19(13)24-4/h5-11,20H,12H2,1-4H3.
What are the key properties of 2-methoxy-3-[2-(2,4,6-trimethoxyphenyl)ethenylsulfanylmethyl]phenol?
2-methoxy-3-[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-3-[2-(2,4,6-trimethoxyphenyl)ethenylsulfanylmethyl]phenol is sourced from PubChem (CID 69119345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).