4-diethoxyphosphoryl-2-(2-methylpropoxy)-5-phenyl-2,3-dihydrofuran

C18H27O5P — CID 11382656

IUPAC4-diethoxyphosphoryl-2-(2-methylpropoxy)-5-phenyl-2,3-dihydrofuran
SMILESCCOP(=O)(OCC)C1=C(c2ccccc2)OC(OCC(C)C)C1
InChIInChI=1S/C18H27O5P/c1-5-21-24(19,22-6-2)16-12-17(20-13-14(3)4)23-18(16)15-10-8-7-9-11-15/h7-11,14,17H,5-6,12-13H2,1-4H3
InChIKeyCTNAMOKBZXKPEP-UHFFFAOYSA-N
MW354.38 g/mol
LogP5.04
Rot. Bonds9

About 4-diethoxyphosphoryl-2-(2-methylpropoxy)-5-phenyl-2,3-dihydrofuran

4-diethoxyphosphoryl-2-(2-methylpropoxy)-5-phenyl-2,3-dihydrofuran (PubChem CID 11382656) has the molecular formula C18H27O5P and a molecular weight of 354.38 g/mol. Its IUPAC name is 4-diethoxyphosphoryl-2-(2-methylpropoxy)-5-phenyl-2,3-dihydrofuran.

Molecular Properties

Compound Name4-diethoxyphosphoryl-2-(2-methylpropoxy)-5-phenyl-2,3-dihydrofuran
PubChem CID11382656
Molecular FormulaC18H27O5P
Molecular Weight354.38 g/mol
Exact Mass354.16
IUPAC Name4-diethoxyphosphoryl-2-(2-methylpropoxy)-5-phenyl-2,3-dihydrofuran
SMILESCCOP(=O)(OCC)C1=C(c2ccccc2)OC(OCC(C)C)C1
InChIInChI=1S/C18H27O5P/c1-5-21-24(19,22-6-2)16-12-17(20-13-14(3)4)23-18(16)15-10-8-7-9-11-15/h7-11,14,17H,5-6,12-13H2,1-4H3
InChIKeyCTNAMOKBZXKPEP-UHFFFAOYSA-N
XLogP5.04
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.38
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-diethoxyphosphoryl-2-(2-methylpropoxy)-5-phenyl-2,3-dihydrofuran?
The IUPAC name of 4-diethoxyphosphoryl-2-(2-methylpropoxy)-5-phenyl-2,3-dihydrofuran (CID 11382656) is 4-diethoxyphosphoryl-2-(2-methylpropoxy)-5-phenyl-2,3-dihydrofuran.
What is the SMILES notation for 4-diethoxyphosphoryl-2-(2-methylpropoxy)-5-phenyl-2,3-dihydrofuran?
The canonical SMILES for 4-diethoxyphosphoryl-2-(2-methylpropoxy)-5-phenyl-2,3-dihydrofuran is CCOP(=O)(OCC)C1=C(c2ccccc2)OC(OCC(C)C)C1.
What is the InChIKey of 4-diethoxyphosphoryl-2-(2-methylpropoxy)-5-phenyl-2,3-dihydrofuran?
The InChIKey is CTNAMOKBZXKPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27O5P/c1-5-21-24(19,22-6-2)16-12-17(20-13-14(3)4)23-18(16)15-10-8-7-9-11-15/h7-11,14,17H,5-6,12-13H2,1-4H3.
What are the key properties of 4-diethoxyphosphoryl-2-(2-methylpropoxy)-5-phenyl-2,3-dihydrofuran?
4-diethoxyphosphoryl-2-(2-methylpropoxy)-5-phenyl-2,3-dihydrofuran has a molecular weight of 354.38 g/mol, XLogP of 5.04, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diethoxyphosphoryl-2-(2-methylpropoxy)-5-phenyl-2,3-dihydrofuran is sourced from PubChem (CID 11382656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).