1-[1-(2-methoxyethoxy)ethyl]-2,4-bis(phenylsulfanyl)benzene

C23H24O2S2 — CID 144842035

IUPAC1-[1-(2-methoxyethoxy)ethyl]-2,4-bis(phenylsulfanyl)benzene
SMILESCOCCOC(C)c1ccc(Sc2ccccc2)cc1Sc1ccccc1
InChIInChI=1S/C23H24O2S2/c1-18(25-16-15-24-2)22-14-13-21(26-19-9-5-3-6-10-19)17-23(22)27-20-11-7-4-8-12-20/h3-14,17-18H,15-16H2,1-2H3
InChIKeyLXIRCCWTFDYKCQ-UHFFFAOYSA-N
MW396.58 g/mol
LogP6.71
Rot. Bonds9

About 1-[1-(2-methoxyethoxy)ethyl]-2,4-bis(phenylsulfanyl)benzene

1-[1-(2-methoxyethoxy)ethyl]-2,4-bis(phenylsulfanyl)benzene (PubChem CID 144842035) has the molecular formula C23H24O2S2 and a molecular weight of 396.58 g/mol. Its IUPAC name is 1-[1-(2-methoxyethoxy)ethyl]-2,4-bis(phenylsulfanyl)benzene.

Molecular Properties

Compound Name1-[1-(2-methoxyethoxy)ethyl]-2,4-bis(phenylsulfanyl)benzene
PubChem CID144842035
Molecular FormulaC23H24O2S2
Molecular Weight396.58 g/mol
Exact Mass396.12
IUPAC Name1-[1-(2-methoxyethoxy)ethyl]-2,4-bis(phenylsulfanyl)benzene
SMILESCOCCOC(C)c1ccc(Sc2ccccc2)cc1Sc1ccccc1
InChIInChI=1S/C23H24O2S2/c1-18(25-16-15-24-2)22-14-13-21(26-19-9-5-3-6-10-19)17-23(22)27-20-11-7-4-8-12-20/h3-14,17-18H,15-16H2,1-2H3
InChIKeyLXIRCCWTFDYKCQ-UHFFFAOYSA-N
XLogP6.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.58
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethoxy)ethyl]-2,4-bis(phenylsulfanyl)benzene?
The IUPAC name of 1-[1-(2-methoxyethoxy)ethyl]-2,4-bis(phenylsulfanyl)benzene (CID 144842035) is 1-[1-(2-methoxyethoxy)ethyl]-2,4-bis(phenylsulfanyl)benzene.
What is the SMILES notation for 1-[1-(2-methoxyethoxy)ethyl]-2,4-bis(phenylsulfanyl)benzene?
The canonical SMILES for 1-[1-(2-methoxyethoxy)ethyl]-2,4-bis(phenylsulfanyl)benzene is COCCOC(C)c1ccc(Sc2ccccc2)cc1Sc1ccccc1.
What is the InChIKey of 1-[1-(2-methoxyethoxy)ethyl]-2,4-bis(phenylsulfanyl)benzene?
The InChIKey is LXIRCCWTFDYKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O2S2/c1-18(25-16-15-24-2)22-14-13-21(26-19-9-5-3-6-10-19)17-23(22)27-20-11-7-4-8-12-20/h3-14,17-18H,15-16H2,1-2H3.
What are the key properties of 1-[1-(2-methoxyethoxy)ethyl]-2,4-bis(phenylsulfanyl)benzene?
1-[1-(2-methoxyethoxy)ethyl]-2,4-bis(phenylsulfanyl)benzene has a molecular weight of 396.58 g/mol, XLogP of 6.71, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethoxy)ethyl]-2,4-bis(phenylsulfanyl)benzene is sourced from PubChem (CID 144842035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).