1,3-bis(methoxymethoxy)-5-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene

C19H22O4S — CID 58625744

IUPAC1,3-bis(methoxymethoxy)-5-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene
SMILESCOCOc1cc(/C=C/c2ccc(SC)cc2)cc(OCOC)c1
InChIInChI=1S/C19H22O4S/c1-20-13-22-17-10-16(11-18(12-17)23-14-21-2)5-4-15-6-8-19(24-3)9-7-15/h4-12H,13-14H2,1-3H3/b5-4+
InChIKeyPZZYULMWGDUDGM-SNAWJCMRSA-N
MW346.45 g/mol
LogP4.54
Rot. Bonds9

About 1,3-bis(methoxymethoxy)-5-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene

1,3-bis(methoxymethoxy)-5-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene (PubChem CID 58625744) has the molecular formula C19H22O4S and a molecular weight of 346.45 g/mol. Its IUPAC name is 1,3-bis(methoxymethoxy)-5-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene.

Molecular Properties

Compound Name1,3-bis(methoxymethoxy)-5-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene
PubChem CID58625744
Molecular FormulaC19H22O4S
Molecular Weight346.45 g/mol
Exact Mass346.12
IUPAC Name1,3-bis(methoxymethoxy)-5-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene
SMILESCOCOc1cc(/C=C/c2ccc(SC)cc2)cc(OCOC)c1
InChIInChI=1S/C19H22O4S/c1-20-13-22-17-10-16(11-18(12-17)23-14-21-2)5-4-15-6-8-19(24-3)9-7-15/h4-12H,13-14H2,1-3H3/b5-4+
InChIKeyPZZYULMWGDUDGM-SNAWJCMRSA-N
XLogP4.54
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(methoxymethoxy)-5-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene?
The IUPAC name of 1,3-bis(methoxymethoxy)-5-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene (CID 58625744) is 1,3-bis(methoxymethoxy)-5-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene.
What is the SMILES notation for 1,3-bis(methoxymethoxy)-5-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene?
The canonical SMILES for 1,3-bis(methoxymethoxy)-5-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene is COCOc1cc(/C=C/c2ccc(SC)cc2)cc(OCOC)c1.
What is the InChIKey of 1,3-bis(methoxymethoxy)-5-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene?
The InChIKey is PZZYULMWGDUDGM-SNAWJCMRSA-N. The full InChI is InChI=1S/C19H22O4S/c1-20-13-22-17-10-16(11-18(12-17)23-14-21-2)5-4-15-6-8-19(24-3)9-7-15/h4-12H,13-14H2,1-3H3/b5-4+.
What are the key properties of 1,3-bis(methoxymethoxy)-5-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene?
1,3-bis(methoxymethoxy)-5-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene has a molecular weight of 346.45 g/mol, XLogP of 4.54, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(methoxymethoxy)-5-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene is sourced from PubChem (CID 58625744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).