1-phenoxy-4-(2-phenylsulfanylethoxy)benzene

C20H18O2S — CID 10958247

IUPAC1-phenoxy-4-(2-phenylsulfanylethoxy)benzene
SMILESc1ccc(Oc2ccc(OCCSc3ccccc3)cc2)cc1
InChIInChI=1S/C20H18O2S/c1-3-7-18(8-4-1)22-19-13-11-17(12-14-19)21-15-16-23-20-9-5-2-6-10-20/h1-14H,15-16H2
InChIKeyKQSUYFWVOMMLIG-UHFFFAOYSA-N
MW322.43 g/mol
LogP5.65
Rot. Bonds7

About 1-phenoxy-4-(2-phenylsulfanylethoxy)benzene

1-phenoxy-4-(2-phenylsulfanylethoxy)benzene (PubChem CID 10958247) has the molecular formula C20H18O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is 1-phenoxy-4-(2-phenylsulfanylethoxy)benzene.

Molecular Properties

Compound Name1-phenoxy-4-(2-phenylsulfanylethoxy)benzene
PubChem CID10958247
Molecular FormulaC20H18O2S
Molecular Weight322.43 g/mol
Exact Mass322.10
IUPAC Name1-phenoxy-4-(2-phenylsulfanylethoxy)benzene
SMILESc1ccc(Oc2ccc(OCCSc3ccccc3)cc2)cc1
InChIInChI=1S/C20H18O2S/c1-3-7-18(8-4-1)22-19-13-11-17(12-14-19)21-15-16-23-20-9-5-2-6-10-20/h1-14H,15-16H2
InChIKeyKQSUYFWVOMMLIG-UHFFFAOYSA-N
XLogP5.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.43
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-phenoxy-4-(2-phenylsulfanylethoxy)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-phenoxy-4-(2-phenylsulfanylethoxy)benzene?
The IUPAC name of 1-phenoxy-4-(2-phenylsulfanylethoxy)benzene (CID 10958247) is 1-phenoxy-4-(2-phenylsulfanylethoxy)benzene.
What is the SMILES notation for 1-phenoxy-4-(2-phenylsulfanylethoxy)benzene?
The canonical SMILES for 1-phenoxy-4-(2-phenylsulfanylethoxy)benzene is c1ccc(Oc2ccc(OCCSc3ccccc3)cc2)cc1.
What is the InChIKey of 1-phenoxy-4-(2-phenylsulfanylethoxy)benzene?
The InChIKey is KQSUYFWVOMMLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O2S/c1-3-7-18(8-4-1)22-19-13-11-17(12-14-19)21-15-16-23-20-9-5-2-6-10-20/h1-14H,15-16H2.
What are the key properties of 1-phenoxy-4-(2-phenylsulfanylethoxy)benzene?
1-phenoxy-4-(2-phenylsulfanylethoxy)benzene has a molecular weight of 322.43 g/mol, XLogP of 5.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxy-4-(2-phenylsulfanylethoxy)benzene is sourced from PubChem (CID 10958247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).