1-ethenoxy-4-(4-ethenoxyphenyl)sulfanylbenzene

C16H14O2S — CID 18739276

IUPAC1-ethenoxy-4-(4-ethenoxyphenyl)sulfanylbenzene
SMILESC=COc1ccc(Sc2ccc(OC=C)cc2)cc1
InChIInChI=1S/C16H14O2S/c1-3-17-13-5-9-15(10-6-13)19-16-11-7-14(8-12-16)18-4-2/h3-12H,1-2H2
InChIKeyQQPGAAVQAJWTKH-UHFFFAOYSA-N
MW270.35 g/mol
LogP4.88
Rot. Bonds6

About 1-ethenoxy-4-(4-ethenoxyphenyl)sulfanylbenzene

1-ethenoxy-4-(4-ethenoxyphenyl)sulfanylbenzene (PubChem CID 18739276) has the molecular formula C16H14O2S and a molecular weight of 270.35 g/mol. Its IUPAC name is 1-ethenoxy-4-(4-ethenoxyphenyl)sulfanylbenzene.

Molecular Properties

Compound Name1-ethenoxy-4-(4-ethenoxyphenyl)sulfanylbenzene
PubChem CID18739276
Molecular FormulaC16H14O2S
Molecular Weight270.35 g/mol
Exact Mass270.07
IUPAC Name1-ethenoxy-4-(4-ethenoxyphenyl)sulfanylbenzene
SMILESC=COc1ccc(Sc2ccc(OC=C)cc2)cc1
InChIInChI=1S/C16H14O2S/c1-3-17-13-5-9-15(10-6-13)19-16-11-7-14(8-12-16)18-4-2/h3-12H,1-2H2
InChIKeyQQPGAAVQAJWTKH-UHFFFAOYSA-N
XLogP4.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-4-(4-ethenoxyphenyl)sulfanylbenzene?
The IUPAC name of 1-ethenoxy-4-(4-ethenoxyphenyl)sulfanylbenzene (CID 18739276) is 1-ethenoxy-4-(4-ethenoxyphenyl)sulfanylbenzene.
What is the SMILES notation for 1-ethenoxy-4-(4-ethenoxyphenyl)sulfanylbenzene?
The canonical SMILES for 1-ethenoxy-4-(4-ethenoxyphenyl)sulfanylbenzene is C=COc1ccc(Sc2ccc(OC=C)cc2)cc1.
What is the InChIKey of 1-ethenoxy-4-(4-ethenoxyphenyl)sulfanylbenzene?
The InChIKey is QQPGAAVQAJWTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2S/c1-3-17-13-5-9-15(10-6-13)19-16-11-7-14(8-12-16)18-4-2/h3-12H,1-2H2.
What are the key properties of 1-ethenoxy-4-(4-ethenoxyphenyl)sulfanylbenzene?
1-ethenoxy-4-(4-ethenoxyphenyl)sulfanylbenzene has a molecular weight of 270.35 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-4-(4-ethenoxyphenyl)sulfanylbenzene is sourced from PubChem (CID 18739276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).