3-(1-diphenylphosphorylpropa-1,2-dienyl)thiophene

C19H15OPS — CID 168865599

IUPAC3-(1-diphenylphosphorylpropa-1,2-dienyl)thiophene
SMILESC=C=C(c1ccsc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H15OPS/c1-2-19(16-13-14-22-15-16)21(20,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15H,1H2
InChIKeyOHVHDUZTDBJOBV-UHFFFAOYSA-N
MW322.37 g/mol
LogP4.89
Rot. Bonds4

About 3-(1-diphenylphosphorylpropa-1,2-dienyl)thiophene

3-(1-diphenylphosphorylpropa-1,2-dienyl)thiophene (PubChem CID 168865599) has the molecular formula C19H15OPS and a molecular weight of 322.37 g/mol. Its IUPAC name is 3-(1-diphenylphosphorylpropa-1,2-dienyl)thiophene.

Molecular Properties

Compound Name3-(1-diphenylphosphorylpropa-1,2-dienyl)thiophene
PubChem CID168865599
Molecular FormulaC19H15OPS
Molecular Weight322.37 g/mol
Exact Mass322.06
IUPAC Name3-(1-diphenylphosphorylpropa-1,2-dienyl)thiophene
SMILESC=C=C(c1ccsc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H15OPS/c1-2-19(16-13-14-22-15-16)21(20,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15H,1H2
InChIKeyOHVHDUZTDBJOBV-UHFFFAOYSA-N
XLogP4.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 54.89
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

1-(1-diphenylphosphorylpropa-1,2-dienyl)-3-methoxybenzene
CID 175870456
N-diphenylphosphoryl-1-thiophen-3-yl-2-trimethylsilylbuta-2,3-dien-1-amine
CID 102367102
3-dimethylphosphorylthiophene
CID 122416905
thiophene-3-carboxamide;2,2,2-trifluoroacetic acid
CID 118270512
2-methyl-1-thiophen-3-ylprop-2-en-1-one
CID 69300570
2-[benzyl(methyl)amino]-1-thiophen-3-ylethanone
CID 10658035
methyl(phenyl)phosphinic acid;zinc
CID 66618039
N-(2-methyl-2-phenylpropyl)thiophene-3-carboxamide
CID 39700914
(2E,4Z)-5-bromo-4-phenyl-1-thiophen-3-ylhexa-2,4-dien-1-one
CID 137446500
(2-benzylphenyl)-thiophen-3-ylmethanone
CID 125474100
N-(4-phenylbutan-2-yl)thiophene-3-carboxamide
CID 78803823
ethane;methane;[methyl(phenyl)phosphoryl]benzene
CID 162150444

Frequently Asked Questions

What is the IUPAC name of 3-(1-diphenylphosphorylpropa-1,2-dienyl)thiophene?
The IUPAC name of 3-(1-diphenylphosphorylpropa-1,2-dienyl)thiophene (CID 168865599) is 3-(1-diphenylphosphorylpropa-1,2-dienyl)thiophene.
What is the SMILES notation for 3-(1-diphenylphosphorylpropa-1,2-dienyl)thiophene?
The canonical SMILES for 3-(1-diphenylphosphorylpropa-1,2-dienyl)thiophene is C=C=C(c1ccsc1)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(1-diphenylphosphorylpropa-1,2-dienyl)thiophene?
The InChIKey is OHVHDUZTDBJOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15OPS/c1-2-19(16-13-14-22-15-16)21(20,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15H,1H2.
What are the key properties of 3-(1-diphenylphosphorylpropa-1,2-dienyl)thiophene?
3-(1-diphenylphosphorylpropa-1,2-dienyl)thiophene has a molecular weight of 322.37 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-diphenylphosphorylpropa-1,2-dienyl)thiophene is sourced from PubChem (CID 168865599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).