(2-phosphanylphenyl) propanoate

C9H11O2P — CID 134890910

IUPAC(2-phosphanylphenyl) propanoate
SMILESCCC(=O)Oc1ccccc1P
InChIInChI=1S/C9H11O2P/c1-2-9(10)11-7-5-3-4-6-8(7)12/h3-6H,2,12H2,1H3
InChIKeyZVIFTKFMJHLRAC-UHFFFAOYSA-N
MW182.16 g/mol
LogP1.50
Rot. Bonds2

About (2-phosphanylphenyl) propanoate

(2-phosphanylphenyl) propanoate (PubChem CID 134890910) has the molecular formula C9H11O2P and a molecular weight of 182.16 g/mol. Its IUPAC name is (2-phosphanylphenyl) propanoate.

Molecular Properties

Compound Name(2-phosphanylphenyl) propanoate
PubChem CID134890910
Molecular FormulaC9H11O2P
Molecular Weight182.16 g/mol
Exact Mass182.05
IUPAC Name(2-phosphanylphenyl) propanoate
SMILESCCC(=O)Oc1ccccc1P
InChIInChI=1S/C9H11O2P/c1-2-9(10)11-7-5-3-4-6-8(7)12/h3-6H,2,12H2,1H3
InChIKeyZVIFTKFMJHLRAC-UHFFFAOYSA-N
XLogP1.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.16
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-phosphanylphenyl) propanoate?
The IUPAC name of (2-phosphanylphenyl) propanoate (CID 134890910) is (2-phosphanylphenyl) propanoate.
What is the SMILES notation for (2-phosphanylphenyl) propanoate?
The canonical SMILES for (2-phosphanylphenyl) propanoate is CCC(=O)Oc1ccccc1P.
What is the InChIKey of (2-phosphanylphenyl) propanoate?
The InChIKey is ZVIFTKFMJHLRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O2P/c1-2-9(10)11-7-5-3-4-6-8(7)12/h3-6H,2,12H2,1H3.
What are the key properties of (2-phosphanylphenyl) propanoate?
(2-phosphanylphenyl) propanoate has a molecular weight of 182.16 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phosphanylphenyl) propanoate is sourced from PubChem (CID 134890910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).