hydroxy-oxo-(1-oxo-2-phenyl-1-propoxypropan-2-yl)phosphanium

C12H16O4P+ — CID 70150123

IUPAChydroxy-oxo-(1-oxo-2-phenyl-1-propoxypropan-2-yl)phosphanium
SMILESCCCOC(=O)C(C)(c1ccccc1)[P+](=O)O
InChIInChI=1S/C12H15O4P/c1-3-9-16-11(13)12(2,17(14)15)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3/p+1
InChIKeyHBVZZPGCCCQVDZ-UHFFFAOYSA-O
MW255.23 g/mol
LogP2.59
Rot. Bonds5

About hydroxy-oxo-(1-oxo-2-phenyl-1-propoxypropan-2-yl)phosphanium

hydroxy-oxo-(1-oxo-2-phenyl-1-propoxypropan-2-yl)phosphanium (PubChem CID 70150123) has the molecular formula C12H16O4P+ and a molecular weight of 255.23 g/mol. Its IUPAC name is hydroxy-oxo-(1-oxo-2-phenyl-1-propoxypropan-2-yl)phosphanium.

Molecular Properties

Compound Namehydroxy-oxo-(1-oxo-2-phenyl-1-propoxypropan-2-yl)phosphanium
PubChem CID70150123
Molecular FormulaC12H16O4P+
Molecular Weight255.23 g/mol
Exact Mass255.08
IUPAC Namehydroxy-oxo-(1-oxo-2-phenyl-1-propoxypropan-2-yl)phosphanium
SMILESCCCOC(=O)C(C)(c1ccccc1)[P+](=O)O
InChIInChI=1S/C12H15O4P/c1-3-9-16-11(13)12(2,17(14)15)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3/p+1
InChIKeyHBVZZPGCCCQVDZ-UHFFFAOYSA-O
XLogP2.59
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dipropyl 2-(3-methylbutyl)-2-phenylpropanedioate
CID 118088374
butyl 2,2-dibromo-2-phenylacetate
CID 67401521
dipropyl 2,3-diethyl-2,3-diphenoxybutanedioate
CID 139989411
propyl 2,2-bis(4-hydroxyphenyl)propanoate
CID 139611231
2-(2,2-diphenylpropanoyloxy)ethyl-trimethylazanium
CID 21299458
dibutyl 2-chloro-2-phenylpropanedioate
CID 19073801
[(1R)-1-amino-1-phenylethyl]-hydroxy-oxophosphanium
CID 131079563
2-chloroethyl 2-methyl-2-phenylpropanoate
CID 12842805
2-(2,2-diphenylpropanoyloxy)ethyl-dimethylazanium chloride
CID 44658693
2-ethoxyethyl 2-amino-2-phenylpropanoate
CID 62488733
butyl 3-amino-2-hydroxy-2-phenylpropanoate
CID 54483701
1,1-diphenylethyl-hydroxy-oxophosphanium
CID 174317927

Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-(1-oxo-2-phenyl-1-propoxypropan-2-yl)phosphanium?
The IUPAC name of hydroxy-oxo-(1-oxo-2-phenyl-1-propoxypropan-2-yl)phosphanium (CID 70150123) is hydroxy-oxo-(1-oxo-2-phenyl-1-propoxypropan-2-yl)phosphanium.
What is the SMILES notation for hydroxy-oxo-(1-oxo-2-phenyl-1-propoxypropan-2-yl)phosphanium?
The canonical SMILES for hydroxy-oxo-(1-oxo-2-phenyl-1-propoxypropan-2-yl)phosphanium is CCCOC(=O)C(C)(c1ccccc1)[P+](=O)O.
What is the InChIKey of hydroxy-oxo-(1-oxo-2-phenyl-1-propoxypropan-2-yl)phosphanium?
The InChIKey is HBVZZPGCCCQVDZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H15O4P/c1-3-9-16-11(13)12(2,17(14)15)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3/p+1.
What are the key properties of hydroxy-oxo-(1-oxo-2-phenyl-1-propoxypropan-2-yl)phosphanium?
hydroxy-oxo-(1-oxo-2-phenyl-1-propoxypropan-2-yl)phosphanium has a molecular weight of 255.23 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-(1-oxo-2-phenyl-1-propoxypropan-2-yl)phosphanium is sourced from PubChem (CID 70150123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).