2-[(E)-2-diphenylphosphorylethenyl]thiophene

C18H15OPS — CID 11781859

IUPAC2-[(E)-2-diphenylphosphorylethenyl]thiophene
SMILESO=P(/C=C/c1cccs1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H15OPS/c19-20(16-8-3-1-4-9-16,17-10-5-2-6-11-17)14-13-18-12-7-15-21-18/h1-15H/b14-13+
InChIKeyDUTASOYCQATHFQ-BUHFOSPRSA-N
MW310.36 g/mol
LogP4.73
Rot. Bonds4

About 2-[(E)-2-diphenylphosphorylethenyl]thiophene

2-[(E)-2-diphenylphosphorylethenyl]thiophene (PubChem CID 11781859) has the molecular formula C18H15OPS and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-[(E)-2-diphenylphosphorylethenyl]thiophene.

Molecular Properties

Compound Name2-[(E)-2-diphenylphosphorylethenyl]thiophene
PubChem CID11781859
Molecular FormulaC18H15OPS
Molecular Weight310.36 g/mol
Exact Mass310.06
IUPAC Name2-[(E)-2-diphenylphosphorylethenyl]thiophene
SMILESO=P(/C=C/c1cccs1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H15OPS/c19-20(16-8-3-1-4-9-16,17-10-5-2-6-11-17)14-13-18-12-7-15-21-18/h1-15H/b14-13+
InChIKeyDUTASOYCQATHFQ-BUHFOSPRSA-N
XLogP4.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Thienylmethyltriphenylphosphonium chloride
CID 11574767
Triphenyl(2-thienylmethyl)phosphonium Bromide
CID 10741697
Methyl (2-thiophenoxyethyl)-phenylphosphine oxide
CID 365464
Thiophene, 2,5-bis(diphenylphosphinyl)-
CID 635500
Phosphine, diphenyl-2-thienyl-
CID 11482564
2-Bis(4-fluorophenyl)phosphoryl-5-methylthiophene
CID 162415756
Diphenyl(1-(phenylthio)propyl)phosphine oxide
CID 12299365
Oxo(diphenyl)[1-(phenylsulfanyl)ethyl]-lambda~5~-phosphane
CID 12397142
2,5-Bis(phenylsulfanyl)thiophene
CID 3782500
CID 10901563
CID 10901563
Phosphonium, triphenyl(3-thienylmethyl)-, bromide
CID 11955039
Bromo-triphenyl-(thiophen-3-ylmethyl)-lambda5-phosphane
CID 12015147

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-diphenylphosphorylethenyl]thiophene?
The IUPAC name of 2-[(E)-2-diphenylphosphorylethenyl]thiophene (CID 11781859) is 2-[(E)-2-diphenylphosphorylethenyl]thiophene.
What is the SMILES notation for 2-[(E)-2-diphenylphosphorylethenyl]thiophene?
The canonical SMILES for 2-[(E)-2-diphenylphosphorylethenyl]thiophene is O=P(/C=C/c1cccs1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(E)-2-diphenylphosphorylethenyl]thiophene?
The InChIKey is DUTASOYCQATHFQ-BUHFOSPRSA-N. The full InChI is InChI=1S/C18H15OPS/c19-20(16-8-3-1-4-9-16,17-10-5-2-6-11-17)14-13-18-12-7-15-21-18/h1-15H/b14-13+.
What are the key properties of 2-[(E)-2-diphenylphosphorylethenyl]thiophene?
2-[(E)-2-diphenylphosphorylethenyl]thiophene has a molecular weight of 310.36 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-diphenylphosphorylethenyl]thiophene is sourced from PubChem (CID 11781859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).