ethyl 3-diphenylphosphoryl-2-hydroxy-2-(4-methoxyphenyl)propanoate

C24H25O5P — CID 132569331

IUPACethyl 3-diphenylphosphoryl-2-hydroxy-2-(4-methoxyphenyl)propanoate
SMILESCCOC(=O)C(O)(CP(=O)(c1ccccc1)c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C24H25O5P/c1-3-29-23(25)24(26,19-14-16-20(28-2)17-15-19)18-30(27,21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-17,26H,3,18H2,1-2H3
InChIKeyNFIRTQUIFXZWFM-UHFFFAOYSA-N
MW424.43 g/mol
LogP3.46
Rot. Bonds8

About ethyl 3-diphenylphosphoryl-2-hydroxy-2-(4-methoxyphenyl)propanoate

ethyl 3-diphenylphosphoryl-2-hydroxy-2-(4-methoxyphenyl)propanoate (PubChem CID 132569331) has the molecular formula C24H25O5P and a molecular weight of 424.43 g/mol. Its IUPAC name is ethyl 3-diphenylphosphoryl-2-hydroxy-2-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 3-diphenylphosphoryl-2-hydroxy-2-(4-methoxyphenyl)propanoate
PubChem CID132569331
Molecular FormulaC24H25O5P
Molecular Weight424.43 g/mol
Exact Mass424.14
IUPAC Nameethyl 3-diphenylphosphoryl-2-hydroxy-2-(4-methoxyphenyl)propanoate
SMILESCCOC(=O)C(O)(CP(=O)(c1ccccc1)c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C24H25O5P/c1-3-29-23(25)24(26,19-14-16-20(28-2)17-15-19)18-30(27,21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-17,26H,3,18H2,1-2H3
InChIKeyNFIRTQUIFXZWFM-UHFFFAOYSA-N
XLogP3.46
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-diphenylphosphoryl-2-(4-fluorophenyl)-2-hydroxypropanoate
CID 132569334
ethyl 3-diphenylphosphoryl-2-hydroxy-2-(4-nitrophenyl)propanoate
CID 132569337
ethyl (2R)-2,3-dihydroxy-2-(4-methoxyphenyl)propanoate
CID 121000481
ethyl 3-(4-methoxyanilino)-3-oxo-2,2-diphenylpropanoate
CID 71516178
ethyl (2R,3S)-2-hydroxy-3-(4-methoxyphenyl)-2-phenylbutanoate
CID 134955968
ethyl 2-amino-2-(4-methoxyphenyl)butanoate
CID 5027941
ethyl 2,2-difluoro-3-hydroxy-3-(4-methoxyphenyl)butanoate
CID 10945637
ethyl 2-hydroxy-2-methoxy-2-phenylacetate
CID 163409597
2-(diphenylphosphorylmethyl)-3-methoxy-2-methyl-3-oxopropanoic acid
CID 164684544
diethyl 2-iodo-2-phenylpropanedioate
CID 168868817
diethyl 2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethyl]-2-(2,2-dimethylpropanoyloxy)propanedioate
CID 66672416
ethyl 3,3-bis[(4-methoxyphenyl)sulfanyl]-3-phenylpropanoate
CID 14593774

Frequently Asked Questions

What is the IUPAC name of ethyl 3-diphenylphosphoryl-2-hydroxy-2-(4-methoxyphenyl)propanoate?
The IUPAC name of ethyl 3-diphenylphosphoryl-2-hydroxy-2-(4-methoxyphenyl)propanoate (CID 132569331) is ethyl 3-diphenylphosphoryl-2-hydroxy-2-(4-methoxyphenyl)propanoate.
What is the SMILES notation for ethyl 3-diphenylphosphoryl-2-hydroxy-2-(4-methoxyphenyl)propanoate?
The canonical SMILES for ethyl 3-diphenylphosphoryl-2-hydroxy-2-(4-methoxyphenyl)propanoate is CCOC(=O)C(O)(CP(=O)(c1ccccc1)c1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of ethyl 3-diphenylphosphoryl-2-hydroxy-2-(4-methoxyphenyl)propanoate?
The InChIKey is NFIRTQUIFXZWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25O5P/c1-3-29-23(25)24(26,19-14-16-20(28-2)17-15-19)18-30(27,21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-17,26H,3,18H2,1-2H3.
What are the key properties of ethyl 3-diphenylphosphoryl-2-hydroxy-2-(4-methoxyphenyl)propanoate?
ethyl 3-diphenylphosphoryl-2-hydroxy-2-(4-methoxyphenyl)propanoate has a molecular weight of 424.43 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-diphenylphosphoryl-2-hydroxy-2-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 132569331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).