2-[ethoxy(phenyl)phosphoryl]thiophene

C12H13O2PS — CID 134935953

IUPAC2-[ethoxy(phenyl)phosphoryl]thiophene
SMILESCCOP(=O)(c1ccccc1)c1cccs1
InChIInChI=1S/C12H13O2PS/c1-2-14-15(13,12-9-6-10-16-12)11-7-4-3-5-8-11/h3-10H,2H2,1H3
InChIKeyQEBWWCPKCNVRCX-UHFFFAOYSA-N
MW252.28 g/mol
LogP3.01
Rot. Bonds4

About 2-[ethoxy(phenyl)phosphoryl]thiophene

2-[ethoxy(phenyl)phosphoryl]thiophene (PubChem CID 134935953) has the molecular formula C12H13O2PS and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-[ethoxy(phenyl)phosphoryl]thiophene.

Molecular Properties

Compound Name2-[ethoxy(phenyl)phosphoryl]thiophene
PubChem CID134935953
Molecular FormulaC12H13O2PS
Molecular Weight252.28 g/mol
Exact Mass252.04
IUPAC Name2-[ethoxy(phenyl)phosphoryl]thiophene
SMILESCCOP(=O)(c1ccccc1)c1cccs1
InChIInChI=1S/C12H13O2PS/c1-2-14-15(13,12-9-6-10-16-12)11-7-4-3-5-8-11/h3-10H,2H2,1H3
InChIKeyQEBWWCPKCNVRCX-UHFFFAOYSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 53.01
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-[ethoxy(phenyl)phosphoryl]thiophene?
The IUPAC name of 2-[ethoxy(phenyl)phosphoryl]thiophene (CID 134935953) is 2-[ethoxy(phenyl)phosphoryl]thiophene.
What is the SMILES notation for 2-[ethoxy(phenyl)phosphoryl]thiophene?
The canonical SMILES for 2-[ethoxy(phenyl)phosphoryl]thiophene is CCOP(=O)(c1ccccc1)c1cccs1.
What is the InChIKey of 2-[ethoxy(phenyl)phosphoryl]thiophene?
The InChIKey is QEBWWCPKCNVRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13O2PS/c1-2-14-15(13,12-9-6-10-16-12)11-7-4-3-5-8-11/h3-10H,2H2,1H3.
What are the key properties of 2-[ethoxy(phenyl)phosphoryl]thiophene?
2-[ethoxy(phenyl)phosphoryl]thiophene has a molecular weight of 252.28 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethoxy(phenyl)phosphoryl]thiophene is sourced from PubChem (CID 134935953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).