ethyl 2-diphenylphosphorylpentanoate

C19H23O3P — CID 2839721

IUPACethyl 2-diphenylphosphorylpentanoate
SMILESCCCC(C(=O)OCC)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23O3P/c1-3-11-18(19(20)22-4-2)23(21,16-12-7-5-8-13-16)17-14-9-6-10-15-17/h5-10,12-15,18H,3-4,11H2,1-2H3
InChIKeyTYDNCYGVLAGCAW-UHFFFAOYSA-N
MW330.36 g/mol
LogP3.73
Rot. Bonds7

About ethyl 2-diphenylphosphorylpentanoate

ethyl 2-diphenylphosphorylpentanoate (PubChem CID 2839721) has the molecular formula C19H23O3P and a molecular weight of 330.36 g/mol. Its IUPAC name is ethyl 2-diphenylphosphorylpentanoate.

Molecular Properties

Compound Nameethyl 2-diphenylphosphorylpentanoate
PubChem CID2839721
Molecular FormulaC19H23O3P
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Nameethyl 2-diphenylphosphorylpentanoate
SMILESCCCC(C(=O)OCC)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23O3P/c1-3-11-18(19(20)22-4-2)23(21,16-12-7-5-8-13-16)17-14-9-6-10-15-17/h5-10,12-15,18H,3-4,11H2,1-2H3
InChIKeyTYDNCYGVLAGCAW-UHFFFAOYSA-N
XLogP3.73
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-diphenylphosphorylpentanoate?
The IUPAC name of ethyl 2-diphenylphosphorylpentanoate (CID 2839721) is ethyl 2-diphenylphosphorylpentanoate.
What is the SMILES notation for ethyl 2-diphenylphosphorylpentanoate?
The canonical SMILES for ethyl 2-diphenylphosphorylpentanoate is CCCC(C(=O)OCC)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 2-diphenylphosphorylpentanoate?
The InChIKey is TYDNCYGVLAGCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23O3P/c1-3-11-18(19(20)22-4-2)23(21,16-12-7-5-8-13-16)17-14-9-6-10-15-17/h5-10,12-15,18H,3-4,11H2,1-2H3.
What are the key properties of ethyl 2-diphenylphosphorylpentanoate?
ethyl 2-diphenylphosphorylpentanoate has a molecular weight of 330.36 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-diphenylphosphorylpentanoate is sourced from PubChem (CID 2839721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).