2-[(R)-diethoxyphosphoryl-hydroxy-(2-methylphenyl)methyl]-2H-furan-5-one

C16H21O6P — CID 102364757

IUPAC2-[(R)-diethoxyphosphoryl-hydroxy-(2-methylphenyl)methyl]-2H-furan-5-one
SMILESCCOP(=O)(OCC)[C@](O)(c1ccccc1C)C1C=CC(=O)O1
InChIInChI=1S/C16H21O6P/c1-4-20-23(19,21-5-2)16(18,14-10-11-15(17)22-14)13-9-7-6-8-12(13)3/h6-11,14,18H,4-5H2,1-3H3/t14?,16-/m1/s1
InChIKeyCGWHVLUAGAIADF-BZSJEYESSA-N
MW340.31 g/mol
LogP2.89
Rot. Bonds7

About 2-[(R)-diethoxyphosphoryl-hydroxy-(2-methylphenyl)methyl]-2H-furan-5-one

2-[(R)-diethoxyphosphoryl-hydroxy-(2-methylphenyl)methyl]-2H-furan-5-one (PubChem CID 102364757) has the molecular formula C16H21O6P and a molecular weight of 340.31 g/mol. Its IUPAC name is 2-[(R)-diethoxyphosphoryl-hydroxy-(2-methylphenyl)methyl]-2H-furan-5-one.

Molecular Properties

Compound Name2-[(R)-diethoxyphosphoryl-hydroxy-(2-methylphenyl)methyl]-2H-furan-5-one
PubChem CID102364757
Molecular FormulaC16H21O6P
Molecular Weight340.31 g/mol
Exact Mass340.11
IUPAC Name2-[(R)-diethoxyphosphoryl-hydroxy-(2-methylphenyl)methyl]-2H-furan-5-one
SMILESCCOP(=O)(OCC)[C@](O)(c1ccccc1C)C1C=CC(=O)O1
InChIInChI=1S/C16H21O6P/c1-4-20-23(19,21-5-2)16(18,14-10-11-15(17)22-14)13-9-7-6-8-12(13)3/h6-11,14,18H,4-5H2,1-3H3/t14?,16-/m1/s1
InChIKeyCGWHVLUAGAIADF-BZSJEYESSA-N
XLogP2.89
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[(1R)-1-diethoxyphosphoryl-1-hydroxyethyl]-2H-furan-5-one
CID 56590637
(2R)-2-[(1R)-1-dimethoxyphosphoryl-1-hydroxypropyl]-2H-furan-5-one
CID 56590638
2-(4-hydroxyheptan-4-yl)-2H-furan-5-one
CID 102468529
1,1-bis(diethoxyphosphoryl)-2-phenylethanol
CID 10340585
methyl (2S)-2-hydroxy-2-[(2S)-5-oxo-2H-furan-2-yl]propanoate
CID 100958241
1-[ethoxy-(2-methylphenyl)phosphoryl]-2-methylbenzene
CID 23081831
(2S,3S)-2-diethoxyphosphoryl-3-(2-methylphenyl)oxirane
CID 101084245
(1R)-1-diethoxyphosphoryl-1-naphthalen-2-ylethanol
CID 15260930
ethyl 3-amino-3-(2-methylphenyl)butanoate
CID 79849157
ethyl (6S)-2-diphenoxyphosphoryloxy-4,4-dimethyl-6-[(2R)-5-oxo-2H-furan-2-yl]cyclohexene-1-carboxylate
CID 71614011
1-diethoxyphosphoryl-1-phenyldodecan-1-ol
CID 135062703
2-chloro-2-diethoxyphosphoryl-2-phenylacetaldehyde
CID 11162104

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-diethoxyphosphoryl-hydroxy-(2-methylphenyl)methyl]-2H-furan-5-one?
The IUPAC name of 2-[(R)-diethoxyphosphoryl-hydroxy-(2-methylphenyl)methyl]-2H-furan-5-one (CID 102364757) is 2-[(R)-diethoxyphosphoryl-hydroxy-(2-methylphenyl)methyl]-2H-furan-5-one.
What is the SMILES notation for 2-[(R)-diethoxyphosphoryl-hydroxy-(2-methylphenyl)methyl]-2H-furan-5-one?
The canonical SMILES for 2-[(R)-diethoxyphosphoryl-hydroxy-(2-methylphenyl)methyl]-2H-furan-5-one is CCOP(=O)(OCC)[C@](O)(c1ccccc1C)C1C=CC(=O)O1.
What is the InChIKey of 2-[(R)-diethoxyphosphoryl-hydroxy-(2-methylphenyl)methyl]-2H-furan-5-one?
The InChIKey is CGWHVLUAGAIADF-BZSJEYESSA-N. The full InChI is InChI=1S/C16H21O6P/c1-4-20-23(19,21-5-2)16(18,14-10-11-15(17)22-14)13-9-7-6-8-12(13)3/h6-11,14,18H,4-5H2,1-3H3/t14?,16-/m1/s1.
What are the key properties of 2-[(R)-diethoxyphosphoryl-hydroxy-(2-methylphenyl)methyl]-2H-furan-5-one?
2-[(R)-diethoxyphosphoryl-hydroxy-(2-methylphenyl)methyl]-2H-furan-5-one has a molecular weight of 340.31 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-diethoxyphosphoryl-hydroxy-(2-methylphenyl)methyl]-2H-furan-5-one is sourced from PubChem (CID 102364757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).