2-[butoxy(phenyl)phosphoryl]thiophene

C14H17O2PS — CID 13086840

IUPAC2-[butoxy(phenyl)phosphoryl]thiophene
SMILESCCCCOP(=O)(c1ccccc1)c1cccs1
InChIInChI=1S/C14H17O2PS/c1-2-3-11-16-17(15,14-10-7-12-18-14)13-8-5-4-6-9-13/h4-10,12H,2-3,11H2,1H3
InChIKeyOVNOSRIDRMBOBD-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.79
Rot. Bonds6

About 2-[butoxy(phenyl)phosphoryl]thiophene

2-[butoxy(phenyl)phosphoryl]thiophene (PubChem CID 13086840) has the molecular formula C14H17O2PS and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[butoxy(phenyl)phosphoryl]thiophene.

Molecular Properties

Compound Name2-[butoxy(phenyl)phosphoryl]thiophene
PubChem CID13086840
Molecular FormulaC14H17O2PS
Molecular Weight280.33 g/mol
Exact Mass280.07
IUPAC Name2-[butoxy(phenyl)phosphoryl]thiophene
SMILESCCCCOP(=O)(c1ccccc1)c1cccs1
InChIInChI=1S/C14H17O2PS/c1-2-3-11-16-17(15,14-10-7-12-18-14)13-8-5-4-6-9-13/h4-10,12H,2-3,11H2,1H3
InChIKeyOVNOSRIDRMBOBD-UHFFFAOYSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[(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
(E)-4-diethoxyphosphoryl-5-thiophen-2-ylpent-4-en-2-one
CID 5469421

Frequently Asked Questions

What is the IUPAC name of 2-[butoxy(phenyl)phosphoryl]thiophene?
The IUPAC name of 2-[butoxy(phenyl)phosphoryl]thiophene (CID 13086840) is 2-[butoxy(phenyl)phosphoryl]thiophene.
What is the SMILES notation for 2-[butoxy(phenyl)phosphoryl]thiophene?
The canonical SMILES for 2-[butoxy(phenyl)phosphoryl]thiophene is CCCCOP(=O)(c1ccccc1)c1cccs1.
What is the InChIKey of 2-[butoxy(phenyl)phosphoryl]thiophene?
The InChIKey is OVNOSRIDRMBOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17O2PS/c1-2-3-11-16-17(15,14-10-7-12-18-14)13-8-5-4-6-9-13/h4-10,12H,2-3,11H2,1H3.
What are the key properties of 2-[butoxy(phenyl)phosphoryl]thiophene?
2-[butoxy(phenyl)phosphoryl]thiophene has a molecular weight of 280.33 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butoxy(phenyl)phosphoryl]thiophene is sourced from PubChem (CID 13086840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).