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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-diethoxyphosphoryl-4-phenylbenzene
CID 12670613
1-(2-ethoxy-6-phenyl-3,4-dihydro-2H-pyran-5-yl)-2-methylpropan-1-one
CID 10588393
(R)-[(2R)-4-diphenylphosphoryl-5-phenyl-2,3-dihydrofuran-2-yl]-phenylmethanol
CID 11843900
(1S,4R,6S,7R)-8-diethoxyphosphoryl-9-phenyltetracyclo[4.3.0.02,4.03,7]non-8-ene
CID 53475095
[ethoxy-[ethoxy(phenyl)phosphoryl]oxyphosphoryl]benzene
CID 23415634
2-diethoxyphosphoryl-1-methoxy-4-methyl-3-phenylbenzene
CID 58067281
3-diethoxyphosphoryl-4-methyl-2-phenyl-1H-pyrrole
CID 132524949
2-diethoxyphosphoryl-N-(1-phenylethyl)acetamide
CID 56955836
[2-methylpropoxy(tridecoxy)phosphoryl]benzene
CID 91723456
[ethoxy(phenyl)phosphoryl]oxybenzene
CID 12735424
ethyl (6R,7aR)-6-ethoxy-2,3-dioxo-1,4-diphenyl-6,7-dihydropyrano[4,3-b]pyrrole-7a-carboxylate
CID 10938724
2,5-bis(diethoxyphosphoryl)-3,6-diphenyl-2,5-dihydropyrazine
CID 102245838

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).