oxophosphanium;propan-2-yl 2-phenylacetate

C11H16O3P+ — CID 159678340

IUPACoxophosphanium;propan-2-yl 2-phenylacetate
SMILESCC(C)OC(=O)Cc1ccccc1.O=[PH2+]
InChIInChI=1S/C11H14O2.H2OP/c1-9(2)13-11(12)8-10-6-4-3-5-7-10;1-2/h3-7,9H,8H2,1-2H3;2H2/q;+1
InChIKeyHUWOGCRQLAKHON-UHFFFAOYSA-N
MW227.22 g/mol
LogP2.39
Rot. Bonds3

About oxophosphanium;propan-2-yl 2-phenylacetate

oxophosphanium;propan-2-yl 2-phenylacetate (PubChem CID 159678340) has the molecular formula C11H16O3P+ and a molecular weight of 227.22 g/mol. Its IUPAC name is oxophosphanium;propan-2-yl 2-phenylacetate.

Molecular Properties

Compound Nameoxophosphanium;propan-2-yl 2-phenylacetate
PubChem CID159678340
Molecular FormulaC11H16O3P+
Molecular Weight227.22 g/mol
Exact Mass227.08
IUPAC Nameoxophosphanium;propan-2-yl 2-phenylacetate
SMILESCC(C)OC(=O)Cc1ccccc1.O=[PH2+]
InChIInChI=1S/C11H14O2.H2OP/c1-9(2)13-11(12)8-10-6-4-3-5-7-10;1-2/h3-7,9H,8H2,1-2H3;2H2/q;+1
InChIKeyHUWOGCRQLAKHON-UHFFFAOYSA-N
XLogP2.39
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

S-tert-butylthiohydroxylamine;propan-2-yl 2-phenylacetate
CID 174931571
propan-2-yl 2-(4-phenylmethoxyphenyl)acetate
CID 82550165
1-bromoethyl 2-phenylacetate
CID 22386448
[(1S)-1-phenylethyl] 2-phenylacetate
CID 70824875
1-(dimethylamino)ethyl 2-phenylacetate
CID 88661320
1-bromopropan-2-yl 2-phenylacetate
CID 102297805
propan-2-yl 2-(4-propan-2-yloxyphenyl)acetate
CID 16637947
(4-fluoro-3-hydroxybutan-2-yl) 2-phenylacetate
CID 54393447
(2S)-2-(2-phenylacetyl)oxybutanoic acid
CID 124585457
[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-phenylacetate
CID 55417641
propan-2-yl 2-(2-sulfanylphenyl)acetate
CID 67682935
1-phenylpropyl 2-phenylacetate
CID 59360641

Frequently Asked Questions

What is the IUPAC name of oxophosphanium;propan-2-yl 2-phenylacetate?
The IUPAC name of oxophosphanium;propan-2-yl 2-phenylacetate (CID 159678340) is oxophosphanium;propan-2-yl 2-phenylacetate.
What is the SMILES notation for oxophosphanium;propan-2-yl 2-phenylacetate?
The canonical SMILES for oxophosphanium;propan-2-yl 2-phenylacetate is CC(C)OC(=O)Cc1ccccc1.O=[PH2+].
What is the InChIKey of oxophosphanium;propan-2-yl 2-phenylacetate?
The InChIKey is HUWOGCRQLAKHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2.H2OP/c1-9(2)13-11(12)8-10-6-4-3-5-7-10;1-2/h3-7,9H,8H2,1-2H3;2H2/q;+1.
What are the key properties of oxophosphanium;propan-2-yl 2-phenylacetate?
oxophosphanium;propan-2-yl 2-phenylacetate has a molecular weight of 227.22 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxophosphanium;propan-2-yl 2-phenylacetate is sourced from PubChem (CID 159678340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).