2-[1-[ethoxy(phenyl)phosphoryl]ethenyl]thiophene

C14H15O2PS — CID 58741308

IUPAC2-[1-[ethoxy(phenyl)phosphoryl]ethenyl]thiophene
SMILESC=C(c1cccs1)P(=O)(OCC)c1ccccc1
InChIInChI=1S/C14H15O2PS/c1-3-16-17(15,13-8-5-4-6-9-13)12(2)14-10-7-11-18-14/h4-11H,2-3H2,1H3
InChIKeyCOYNEWBFKYKKDY-UHFFFAOYSA-N
MW278.31 g/mol
LogP4.36
Rot. Bonds5

About 2-[1-[ethoxy(phenyl)phosphoryl]ethenyl]thiophene

2-[1-[ethoxy(phenyl)phosphoryl]ethenyl]thiophene (PubChem CID 58741308) has the molecular formula C14H15O2PS and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[1-[ethoxy(phenyl)phosphoryl]ethenyl]thiophene.

Molecular Properties

Compound Name2-[1-[ethoxy(phenyl)phosphoryl]ethenyl]thiophene
PubChem CID58741308
Molecular FormulaC14H15O2PS
Molecular Weight278.31 g/mol
Exact Mass278.05
IUPAC Name2-[1-[ethoxy(phenyl)phosphoryl]ethenyl]thiophene
SMILESC=C(c1cccs1)P(=O)(OCC)c1ccccc1
InChIInChI=1S/C14H15O2PS/c1-3-16-17(15,13-8-5-4-6-9-13)12(2)14-10-7-11-18-14/h4-11H,2-3H2,1H3
InChIKeyCOYNEWBFKYKKDY-UHFFFAOYSA-N
XLogP4.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diethyl phenylthiomethylphosphonate
CID 99227
Diethyl (phenylthiomethyl-13C)phosphonate
CID 87229060
2-Thienyldifluoromethylphosphonic acid diethyl ester
CID 10516159
2-(3-Diethoxyphosphoryl-3,3-difluoroprop-1-ynyl)thiophene
CID 176437499
2-[(Z)-2-diethoxyphosphoryl-1-fluorobut-1-enyl]thiophene
CID 178338884
Diethyl (thiophen-2-ylethynyl)phosphonate
CID 11075673
2-[(Z)-2-diethoxyphosphorylethenyl]thiophene
CID 122219694
Diethyl ((thiophen-2-yl)methyl)phosphonate
CID 4185897
AG-H-12498
CID 11448334
Oxo-phenyl-thiophen-2-ylphosphanium
CID 118580329
Diethyl (5-Phenyl-2-thienyl)phosphonate
CID 138980701
2-(1-Dimethoxyphosphorylethenyl)thiophene
CID 166437016

Frequently Asked Questions

What is the IUPAC name of 2-[1-[ethoxy(phenyl)phosphoryl]ethenyl]thiophene?
The IUPAC name of 2-[1-[ethoxy(phenyl)phosphoryl]ethenyl]thiophene (CID 58741308) is 2-[1-[ethoxy(phenyl)phosphoryl]ethenyl]thiophene.
What is the SMILES notation for 2-[1-[ethoxy(phenyl)phosphoryl]ethenyl]thiophene?
The canonical SMILES for 2-[1-[ethoxy(phenyl)phosphoryl]ethenyl]thiophene is C=C(c1cccs1)P(=O)(OCC)c1ccccc1.
What is the InChIKey of 2-[1-[ethoxy(phenyl)phosphoryl]ethenyl]thiophene?
The InChIKey is COYNEWBFKYKKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15O2PS/c1-3-16-17(15,13-8-5-4-6-9-13)12(2)14-10-7-11-18-14/h4-11H,2-3H2,1H3.
What are the key properties of 2-[1-[ethoxy(phenyl)phosphoryl]ethenyl]thiophene?
2-[1-[ethoxy(phenyl)phosphoryl]ethenyl]thiophene has a molecular weight of 278.31 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[ethoxy(phenyl)phosphoryl]ethenyl]thiophene is sourced from PubChem (CID 58741308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).