[2-methoxyethylsulfanyl(diphenyl)methyl]benzene

C22H22OS — CID 22614061

IUPAC[2-methoxyethylsulfanyl(diphenyl)methyl]benzene
SMILESCOCCSC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22OS/c1-23-17-18-24-22(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16H,17-18H2,1H3
InChIKeyLUPWPDJBLOJGJM-UHFFFAOYSA-N
MW334.48 g/mol
LogP5.36
Rot. Bonds7

About [2-methoxyethylsulfanyl(diphenyl)methyl]benzene

[2-methoxyethylsulfanyl(diphenyl)methyl]benzene (PubChem CID 22614061) has the molecular formula C22H22OS and a molecular weight of 334.48 g/mol. Its IUPAC name is [2-methoxyethylsulfanyl(diphenyl)methyl]benzene.

Molecular Properties

Compound Name[2-methoxyethylsulfanyl(diphenyl)methyl]benzene
PubChem CID22614061
Molecular FormulaC22H22OS
Molecular Weight334.48 g/mol
Exact Mass334.14
IUPAC Name[2-methoxyethylsulfanyl(diphenyl)methyl]benzene
SMILESCOCCSC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22OS/c1-23-17-18-24-22(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16H,17-18H2,1H3
InChIKeyLUPWPDJBLOJGJM-UHFFFAOYSA-N
XLogP5.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.48
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-methoxyethylsulfanyl(diphenyl)methyl]benzene?
The IUPAC name of [2-methoxyethylsulfanyl(diphenyl)methyl]benzene (CID 22614061) is [2-methoxyethylsulfanyl(diphenyl)methyl]benzene.
What is the SMILES notation for [2-methoxyethylsulfanyl(diphenyl)methyl]benzene?
The canonical SMILES for [2-methoxyethylsulfanyl(diphenyl)methyl]benzene is COCCSC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-methoxyethylsulfanyl(diphenyl)methyl]benzene?
The InChIKey is LUPWPDJBLOJGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22OS/c1-23-17-18-24-22(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16H,17-18H2,1H3.
What are the key properties of [2-methoxyethylsulfanyl(diphenyl)methyl]benzene?
[2-methoxyethylsulfanyl(diphenyl)methyl]benzene has a molecular weight of 334.48 g/mol, XLogP of 5.36, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxyethylsulfanyl(diphenyl)methyl]benzene is sourced from PubChem (CID 22614061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).