5-diethoxyphosphoryl-2-phenyl-3,4-dihydro-2H-pyran

C15H21O4P — CID 11748465

IUPAC5-diethoxyphosphoryl-2-phenyl-3,4-dihydro-2H-pyran
SMILESCCOP(=O)(OCC)C1=COC(c2ccccc2)CC1
InChIInChI=1S/C15H21O4P/c1-3-18-20(16,19-4-2)14-10-11-15(17-12-14)13-8-6-5-7-9-13/h5-9,12,15H,3-4,10-11H2,1-2H3
InChIKeyILLKUYADQPCXNT-UHFFFAOYSA-N
MW296.30 g/mol
LogP4.65
Rot. Bonds6

About 5-diethoxyphosphoryl-2-phenyl-3,4-dihydro-2H-pyran

5-diethoxyphosphoryl-2-phenyl-3,4-dihydro-2H-pyran (PubChem CID 11748465) has the molecular formula C15H21O4P and a molecular weight of 296.30 g/mol. Its IUPAC name is 5-diethoxyphosphoryl-2-phenyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name5-diethoxyphosphoryl-2-phenyl-3,4-dihydro-2H-pyran
PubChem CID11748465
Molecular FormulaC15H21O4P
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name5-diethoxyphosphoryl-2-phenyl-3,4-dihydro-2H-pyran
SMILESCCOP(=O)(OCC)C1=COC(c2ccccc2)CC1
InChIInChI=1S/C15H21O4P/c1-3-18-20(16,19-4-2)14-10-11-15(17-12-14)13-8-6-5-7-9-13/h5-9,12,15H,3-4,10-11H2,1-2H3
InChIKeyILLKUYADQPCXNT-UHFFFAOYSA-N
XLogP4.65
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-diethoxyphosphoryl-3,4-dihydro-2H-pyran
CID 11345021
(3R,5S)-3-diethoxyphosphoryl-2-methyl-5-phenyl-1,2-oxazolidine
CID 102384469
1-diethoxyphosphoryl-4-methylcyclohexene
CID 12856524
3-diethoxyphosphoryl-4,4a,5,6,7,8a-hexahydropyrano[2,3-b]pyran
CID 73117051
1-diethoxyphosphoryl-4-phenylbenzene
CID 12670613
[(1R,2R)-2-diethoxyphosphorylcyclopropyl]benzene
CID 13128707
[ethoxy-[ethoxy(phenyl)phosphoryl]oxyphosphoryl]benzene
CID 23415634
(2S,3S,8R)-8-diethoxyphosphoryl-2,3-diphenyl-1,4-dioxaspiro[4.4]nonane;(2S,3S,8S)-8-diethoxyphosphoryl-2,3-diphenyl-1,4-dioxaspiro[4.4]nonane
CID 159126661
ethyl (2E)-2-(5-phenyloxolan-2-ylidene)acetate
CID 117046633
[(1S,2S,3R)-2-diethoxyphosphoryl-3-(diethoxyphosphorylmethyl)cyclopentyl]benzene
CID 101053260
(2R,6R)-2-diethoxyphosphoryl-6-phenylpiperidine
CID 11335470
[ethoxy(phenyl)phosphoryl]oxybenzene
CID 12735424

Frequently Asked Questions

What is the IUPAC name of 5-diethoxyphosphoryl-2-phenyl-3,4-dihydro-2H-pyran?
The IUPAC name of 5-diethoxyphosphoryl-2-phenyl-3,4-dihydro-2H-pyran (CID 11748465) is 5-diethoxyphosphoryl-2-phenyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 5-diethoxyphosphoryl-2-phenyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 5-diethoxyphosphoryl-2-phenyl-3,4-dihydro-2H-pyran is CCOP(=O)(OCC)C1=COC(c2ccccc2)CC1.
What is the InChIKey of 5-diethoxyphosphoryl-2-phenyl-3,4-dihydro-2H-pyran?
The InChIKey is ILLKUYADQPCXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21O4P/c1-3-18-20(16,19-4-2)14-10-11-15(17-12-14)13-8-6-5-7-9-13/h5-9,12,15H,3-4,10-11H2,1-2H3.
What are the key properties of 5-diethoxyphosphoryl-2-phenyl-3,4-dihydro-2H-pyran?
5-diethoxyphosphoryl-2-phenyl-3,4-dihydro-2H-pyran has a molecular weight of 296.30 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-diethoxyphosphoryl-2-phenyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 11748465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).