ethyl 2-diethoxyphosphoryl-3-naphthalen-2-ylpropanoate

C19H25O5P — CID 90197847

IUPACethyl 2-diethoxyphosphoryl-3-naphthalen-2-ylpropanoate
SMILESCCOC(=O)C(Cc1ccc2ccccc2c1)P(=O)(OCC)OCC
InChIInChI=1S/C19H25O5P/c1-4-22-19(20)18(25(21,23-5-2)24-6-3)14-15-11-12-16-9-7-8-10-17(16)13-15/h7-13,18H,4-6,14H2,1-3H3
InChIKeyXARGPWDZNOMAPC-UHFFFAOYSA-N
MW364.38 g/mol
LogP4.58
Rot. Bonds9

About ethyl 2-diethoxyphosphoryl-3-naphthalen-2-ylpropanoate

ethyl 2-diethoxyphosphoryl-3-naphthalen-2-ylpropanoate (PubChem CID 90197847) has the molecular formula C19H25O5P and a molecular weight of 364.38 g/mol. Its IUPAC name is ethyl 2-diethoxyphosphoryl-3-naphthalen-2-ylpropanoate.

Molecular Properties

Compound Nameethyl 2-diethoxyphosphoryl-3-naphthalen-2-ylpropanoate
PubChem CID90197847
Molecular FormulaC19H25O5P
Molecular Weight364.38 g/mol
Exact Mass364.14
IUPAC Nameethyl 2-diethoxyphosphoryl-3-naphthalen-2-ylpropanoate
SMILESCCOC(=O)C(Cc1ccc2ccccc2c1)P(=O)(OCC)OCC
InChIInChI=1S/C19H25O5P/c1-4-22-19(20)18(25(21,23-5-2)24-6-3)14-15-11-12-16-9-7-8-10-17(16)13-15/h7-13,18H,4-6,14H2,1-3H3
InChIKeyXARGPWDZNOMAPC-UHFFFAOYSA-N
XLogP4.58
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2S)-2-formyl-3-naphthalen-2-ylpropanoate
CID 125487016
ethyl 3-(6-chloro-3-pyridinyl)-2-diethoxyphosphorylpropanoate
CID 58944751
butyl 2-methyl-3-naphthalen-2-ylpropanoate
CID 102047735
1-O-ethyl 3-O-(naphthalen-2-ylmethyl) 2-ethylpropanedioate
CID 174363846
ethyl 2-(1,3-dioxoisoindol-2-yl)-3-naphthalen-2-ylpropanoate
CID 101149454
diethyl 2,2-bis(naphthalen-2-ylmethyl)propanedioate
CID 135347063
octyl 2-amino-3-naphthalen-2-ylpropanoate
CID 166069428
2-(bromomethyl)naphthalene;diethyl 2-(naphthalen-2-ylmethyl)propanedioate;diethyl propanedioate
CID 157426488
diethyl 2-naphthalen-2-ylsulfonylpropanedioate
CID 134066731
diethyl 2,3-dinaphthalen-2-ylbutanedioate
CID 611707
ethyl 3-ethoxy-4,4,4-trifluoro-3-hydroxy-2-(naphthalen-2-ylmethyl)butanoate
CID 54302200
ethyl N-[(1R,2R)-2-diethoxyphosphoryl-2-hydroxy-1-naphthalen-2-ylethyl]carbamate
CID 23420188

Frequently Asked Questions

What is the IUPAC name of ethyl 2-diethoxyphosphoryl-3-naphthalen-2-ylpropanoate?
The IUPAC name of ethyl 2-diethoxyphosphoryl-3-naphthalen-2-ylpropanoate (CID 90197847) is ethyl 2-diethoxyphosphoryl-3-naphthalen-2-ylpropanoate.
What is the SMILES notation for ethyl 2-diethoxyphosphoryl-3-naphthalen-2-ylpropanoate?
The canonical SMILES for ethyl 2-diethoxyphosphoryl-3-naphthalen-2-ylpropanoate is CCOC(=O)C(Cc1ccc2ccccc2c1)P(=O)(OCC)OCC.
What is the InChIKey of ethyl 2-diethoxyphosphoryl-3-naphthalen-2-ylpropanoate?
The InChIKey is XARGPWDZNOMAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25O5P/c1-4-22-19(20)18(25(21,23-5-2)24-6-3)14-15-11-12-16-9-7-8-10-17(16)13-15/h7-13,18H,4-6,14H2,1-3H3.
What are the key properties of ethyl 2-diethoxyphosphoryl-3-naphthalen-2-ylpropanoate?
ethyl 2-diethoxyphosphoryl-3-naphthalen-2-ylpropanoate has a molecular weight of 364.38 g/mol, XLogP of 4.58, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-diethoxyphosphoryl-3-naphthalen-2-ylpropanoate is sourced from PubChem (CID 90197847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).