5-[[ethoxy(phenyl)phosphoryl]methyl]-5-phenyloxolan-2-one

C19H21O4P — CID 135063939

IUPAC5-[[ethoxy(phenyl)phosphoryl]methyl]-5-phenyloxolan-2-one
SMILESCCOP(=O)(CC1(c2ccccc2)CCC(=O)O1)c1ccccc1
InChIInChI=1S/C19H21O4P/c1-2-22-24(21,17-11-7-4-8-12-17)15-19(14-13-18(20)23-19)16-9-5-3-6-10-16/h3-12H,2,13-15H2,1H3
InChIKeyXLWRCTFTCHVHOP-UHFFFAOYSA-N
MW344.35 g/mol
LogP3.86
Rot. Bonds6

About 5-[[ethoxy(phenyl)phosphoryl]methyl]-5-phenyloxolan-2-one

5-[[ethoxy(phenyl)phosphoryl]methyl]-5-phenyloxolan-2-one (PubChem CID 135063939) has the molecular formula C19H21O4P and a molecular weight of 344.35 g/mol. Its IUPAC name is 5-[[ethoxy(phenyl)phosphoryl]methyl]-5-phenyloxolan-2-one.

Molecular Properties

Compound Name5-[[ethoxy(phenyl)phosphoryl]methyl]-5-phenyloxolan-2-one
PubChem CID135063939
Molecular FormulaC19H21O4P
Molecular Weight344.35 g/mol
Exact Mass344.12
IUPAC Name5-[[ethoxy(phenyl)phosphoryl]methyl]-5-phenyloxolan-2-one
SMILESCCOP(=O)(CC1(c2ccccc2)CCC(=O)O1)c1ccccc1
InChIInChI=1S/C19H21O4P/c1-2-22-24(21,17-11-7-4-8-12-17)15-19(14-13-18(20)23-19)16-9-5-3-6-10-16/h3-12H,2,13-15H2,1H3
InChIKeyXLWRCTFTCHVHOP-UHFFFAOYSA-N
XLogP3.86
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[[ethoxy(phenyl)phosphoryl]methyl]-5-phenyloxolan-2-one?
The IUPAC name of 5-[[ethoxy(phenyl)phosphoryl]methyl]-5-phenyloxolan-2-one (CID 135063939) is 5-[[ethoxy(phenyl)phosphoryl]methyl]-5-phenyloxolan-2-one.
What is the SMILES notation for 5-[[ethoxy(phenyl)phosphoryl]methyl]-5-phenyloxolan-2-one?
The canonical SMILES for 5-[[ethoxy(phenyl)phosphoryl]methyl]-5-phenyloxolan-2-one is CCOP(=O)(CC1(c2ccccc2)CCC(=O)O1)c1ccccc1.
What is the InChIKey of 5-[[ethoxy(phenyl)phosphoryl]methyl]-5-phenyloxolan-2-one?
The InChIKey is XLWRCTFTCHVHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21O4P/c1-2-22-24(21,17-11-7-4-8-12-17)15-19(14-13-18(20)23-19)16-9-5-3-6-10-16/h3-12H,2,13-15H2,1H3.
What are the key properties of 5-[[ethoxy(phenyl)phosphoryl]methyl]-5-phenyloxolan-2-one?
5-[[ethoxy(phenyl)phosphoryl]methyl]-5-phenyloxolan-2-one has a molecular weight of 344.35 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethoxy(phenyl)phosphoryl]methyl]-5-phenyloxolan-2-one is sourced from PubChem (CID 135063939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).