1-di(propan-2-yloxy)phosphoryl-2-phenylpentan-3-one

C17H27O4P — CID 11221083

IUPAC1-di(propan-2-yloxy)phosphoryl-2-phenylpentan-3-one
SMILESCCC(=O)C(CP(=O)(OC(C)C)OC(C)C)c1ccccc1
InChIInChI=1S/C17H27O4P/c1-6-17(18)16(15-10-8-7-9-11-15)12-22(19,20-13(2)3)21-14(4)5/h7-11,13-14,16H,6,12H2,1-5H3
InChIKeyFHAYDMLWRANDQF-UHFFFAOYSA-N
MW326.37 g/mol
LogP4.79
Rot. Bonds9

About 1-di(propan-2-yloxy)phosphoryl-2-phenylpentan-3-one

1-di(propan-2-yloxy)phosphoryl-2-phenylpentan-3-one (PubChem CID 11221083) has the molecular formula C17H27O4P and a molecular weight of 326.37 g/mol. Its IUPAC name is 1-di(propan-2-yloxy)phosphoryl-2-phenylpentan-3-one.

Molecular Properties

Compound Name1-di(propan-2-yloxy)phosphoryl-2-phenylpentan-3-one
PubChem CID11221083
Molecular FormulaC17H27O4P
Molecular Weight326.37 g/mol
Exact Mass326.16
IUPAC Name1-di(propan-2-yloxy)phosphoryl-2-phenylpentan-3-one
SMILESCCC(=O)C(CP(=O)(OC(C)C)OC(C)C)c1ccccc1
InChIInChI=1S/C17H27O4P/c1-6-17(18)16(15-10-8-7-9-11-15)12-22(19,20-13(2)3)21-14(4)5/h7-11,13-14,16H,6,12H2,1-5H3
InChIKeyFHAYDMLWRANDQF-UHFFFAOYSA-N
XLogP4.79
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R,4R)-3-[di(propan-2-yloxy)phosphorylmethyl]-4-hydroxy-4-phenylbutan-2-one
CID 14785365
propan-2-yl (2R)-2-phenylbutanoate
CID 15006686
1-(ethylamino)-1-phenylbutan-2-one
CID 123921729
1-fluoro-1-phenylbutan-2-one
CID 90470836
3-[butyl(hydroxy)phosphoryl]-2-phenylpropanoic acid
CID 18472835
ethyl (2R)-3-cyclopentyl-2-phenylpropanoate
CID 129391453
1,5-diphenyloct-1-ene-3,6-dione
CID 71384497
1-anilino-2-methyl-1-phenylpentan-3-one
CID 10539778
ethane;propan-2-yl 2-phenylpentanoate
CID 145424000
5-ethyl-5-hydroxy-4-phenylheptan-3-one
CID 129196616
ethyl 3-oxo-2-phenylpentanoate
CID 57306037
(2-oxo-1-phenylbutyl) propanoate
CID 102378018

Frequently Asked Questions

What is the IUPAC name of 1-di(propan-2-yloxy)phosphoryl-2-phenylpentan-3-one?
The IUPAC name of 1-di(propan-2-yloxy)phosphoryl-2-phenylpentan-3-one (CID 11221083) is 1-di(propan-2-yloxy)phosphoryl-2-phenylpentan-3-one.
What is the SMILES notation for 1-di(propan-2-yloxy)phosphoryl-2-phenylpentan-3-one?
The canonical SMILES for 1-di(propan-2-yloxy)phosphoryl-2-phenylpentan-3-one is CCC(=O)C(CP(=O)(OC(C)C)OC(C)C)c1ccccc1.
What is the InChIKey of 1-di(propan-2-yloxy)phosphoryl-2-phenylpentan-3-one?
The InChIKey is FHAYDMLWRANDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27O4P/c1-6-17(18)16(15-10-8-7-9-11-15)12-22(19,20-13(2)3)21-14(4)5/h7-11,13-14,16H,6,12H2,1-5H3.
What are the key properties of 1-di(propan-2-yloxy)phosphoryl-2-phenylpentan-3-one?
1-di(propan-2-yloxy)phosphoryl-2-phenylpentan-3-one has a molecular weight of 326.37 g/mol, XLogP of 4.79, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-di(propan-2-yloxy)phosphoryl-2-phenylpentan-3-one is sourced from PubChem (CID 11221083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).