1,3,5-trimethoxy-2-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene

C19H22O6S — CID 10177683

IUPAC1,3,5-trimethoxy-2-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene
SMILESCOc1ccc(CS(=O)(=O)/C=C/c2c(OC)cc(OC)cc2OC)cc1
InChIInChI=1S/C19H22O6S/c1-22-15-7-5-14(6-8-15)13-26(20,21)10-9-17-18(24-3)11-16(23-2)12-19(17)25-4/h5-12H,13H2,1-4H3/b10-9+
InChIKeyPKJIMDZRAFWKBI-MDZDMXLPSA-N
MW378.45 g/mol
LogP3.31
Rot. Bonds8

About 1,3,5-trimethoxy-2-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene

1,3,5-trimethoxy-2-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene (PubChem CID 10177683) has the molecular formula C19H22O6S and a molecular weight of 378.45 g/mol. Its IUPAC name is 1,3,5-trimethoxy-2-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene.

Molecular Properties

Compound Name1,3,5-trimethoxy-2-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene
PubChem CID10177683
Molecular FormulaC19H22O6S
Molecular Weight378.45 g/mol
Exact Mass378.11
IUPAC Name1,3,5-trimethoxy-2-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene
SMILESCOc1ccc(CS(=O)(=O)/C=C/c2c(OC)cc(OC)cc2OC)cc1
InChIInChI=1S/C19H22O6S/c1-22-15-7-5-14(6-8-15)13-26(20,21)10-9-17-18(24-3)11-16(23-2)12-19(17)25-4/h5-12H,13H2,1-4H3/b10-9+
InChIKeyPKJIMDZRAFWKBI-MDZDMXLPSA-N
XLogP3.31
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethoxy-2-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene?
The IUPAC name of 1,3,5-trimethoxy-2-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene (CID 10177683) is 1,3,5-trimethoxy-2-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene.
What is the SMILES notation for 1,3,5-trimethoxy-2-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene?
The canonical SMILES for 1,3,5-trimethoxy-2-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene is COc1ccc(CS(=O)(=O)/C=C/c2c(OC)cc(OC)cc2OC)cc1.
What is the InChIKey of 1,3,5-trimethoxy-2-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene?
The InChIKey is PKJIMDZRAFWKBI-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H22O6S/c1-22-15-7-5-14(6-8-15)13-26(20,21)10-9-17-18(24-3)11-16(23-2)12-19(17)25-4/h5-12H,13H2,1-4H3/b10-9+.
What are the key properties of 1,3,5-trimethoxy-2-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene?
1,3,5-trimethoxy-2-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene has a molecular weight of 378.45 g/mol, XLogP of 3.31, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethoxy-2-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene is sourced from PubChem (CID 10177683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).