1-diphenylphosphanylethyl propanoate

C17H19O2P — CID 150036156

IUPAC1-diphenylphosphanylethyl propanoate
SMILESCCC(=O)OC(C)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19O2P/c1-3-17(18)19-14(2)20(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14H,3H2,1-2H3
InChIKeyDIHIWSQVEDGLCE-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.42
Rot. Bonds5

About 1-diphenylphosphanylethyl propanoate

1-diphenylphosphanylethyl propanoate (PubChem CID 150036156) has the molecular formula C17H19O2P and a molecular weight of 286.31 g/mol. Its IUPAC name is 1-diphenylphosphanylethyl propanoate.

Molecular Properties

Compound Name1-diphenylphosphanylethyl propanoate
PubChem CID150036156
Molecular FormulaC17H19O2P
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name1-diphenylphosphanylethyl propanoate
SMILESCCC(=O)OC(C)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19O2P/c1-3-17(18)19-14(2)20(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14H,3H2,1-2H3
InChIKeyDIHIWSQVEDGLCE-UHFFFAOYSA-N
XLogP3.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethanol;1-phenylethyl propanoate
CID 175279617
2-diphenylphosphanylpropanoic acid
CID 14902743
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] propanoate
CID 8864955
1-phenylethyl butanoate;1-phenylethyl propanoate
CID 174922545
[phenyl(propanoyloxy)methyl] 2-methylpropanoate
CID 58579244
(2-oxo-1-phenylbutyl) propanoate
CID 102378018
1-(benzylamino)propan-2-yl propanoate
CID 82533604
(1-phenyl-1-propoxypropan-2-yl) propanoate
CID 155148718
1-hydroxypropyl propanoate;phthalic acid
CID 174837889
1-(2-bromophenyl)ethyl propanoate
CID 174661782
ethyl (3S)-3,4-bis(diphenylphosphanyl)butanoate
CID 102040167
1-pyridin-2-ylethyl propanoate
CID 141268318

Frequently Asked Questions

What is the IUPAC name of 1-diphenylphosphanylethyl propanoate?
The IUPAC name of 1-diphenylphosphanylethyl propanoate (CID 150036156) is 1-diphenylphosphanylethyl propanoate.
What is the SMILES notation for 1-diphenylphosphanylethyl propanoate?
The canonical SMILES for 1-diphenylphosphanylethyl propanoate is CCC(=O)OC(C)P(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-diphenylphosphanylethyl propanoate?
The InChIKey is DIHIWSQVEDGLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19O2P/c1-3-17(18)19-14(2)20(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14H,3H2,1-2H3.
What are the key properties of 1-diphenylphosphanylethyl propanoate?
1-diphenylphosphanylethyl propanoate has a molecular weight of 286.31 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphanylethyl propanoate is sourced from PubChem (CID 150036156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).