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

C17H27O5P — CID 102467744

IUPAC1-di(propan-2-yloxy)phosphoryl-1-hydroxy-1-phenylpentan-3-one
SMILESCCC(=O)CC(O)(c1ccccc1)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C17H27O5P/c1-6-16(18)12-17(19,15-10-8-7-9-11-15)23(20,21-13(2)3)22-14(4)5/h7-11,13-14,19H,6,12H2,1-5H3
InChIKeyUGFQLZUGSBTNFG-UHFFFAOYSA-N
MW342.37 g/mol
LogP4.24
Rot. Bonds9

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

1-di(propan-2-yloxy)phosphoryl-1-hydroxy-1-phenylpentan-3-one (PubChem CID 102467744) has the molecular formula C17H27O5P and a molecular weight of 342.37 g/mol. Its IUPAC name is 1-di(propan-2-yloxy)phosphoryl-1-hydroxy-1-phenylpentan-3-one.

Molecular Properties

Compound Name1-di(propan-2-yloxy)phosphoryl-1-hydroxy-1-phenylpentan-3-one
PubChem CID102467744
Molecular FormulaC17H27O5P
Molecular Weight342.37 g/mol
Exact Mass342.16
IUPAC Name1-di(propan-2-yloxy)phosphoryl-1-hydroxy-1-phenylpentan-3-one
SMILESCCC(=O)CC(O)(c1ccccc1)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C17H27O5P/c1-6-16(18)12-17(19,15-10-8-7-9-11-15)23(20,21-13(2)3)22-14(4)5/h7-11,13-14,19H,6,12H2,1-5H3
InChIKeyUGFQLZUGSBTNFG-UHFFFAOYSA-N
XLogP4.24
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-di(propan-2-yloxy)phosphoryl-1-hydroxy-1-phenylpentan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-dimethoxyphosphoryl-1-phenylpropan-1-ol
CID 125471750
2-chloro-1-dimethoxyphosphoryl-1-phenylethanol
CID 12886121
ethyl (2R)-2-benzamido-2-di(propan-2-yloxy)phosphoryl-3,3,3-trifluoropropanoate
CID 7037347
(4R,5R)-5-hydroxy-4-methyl-5-phenylhexan-3-one
CID 13299690
6,6-difluoro-6-phenylhexan-3-one
CID 116789877
1-diethoxyphosphoryl-1-phenyldodecan-1-ol
CID 135062703
1-di(propan-2-yloxy)phosphoryl-2-phenylpentan-3-one
CID 11221083
propan-2-yl 2-hydroxy-2,3-diphenylpropanoate
CID 68875154
1,1-dihydroxy-1-phenylbutan-2-one
CID 162740160
ethyl (2R)-2-(benzenesulfonamido)-2-di(propan-2-yloxy)phosphoryl-3,3,3-trifluoropropanoate
CID 7164469
propanoate;trimethyl(trityl)phosphanium
CID 18355979
3-hydroxy-5-methyl-3-phenylhex-5-en-2-one
CID 11769614

Frequently Asked Questions

What is the IUPAC name of 1-di(propan-2-yloxy)phosphoryl-1-hydroxy-1-phenylpentan-3-one?
The IUPAC name of 1-di(propan-2-yloxy)phosphoryl-1-hydroxy-1-phenylpentan-3-one (CID 102467744) is 1-di(propan-2-yloxy)phosphoryl-1-hydroxy-1-phenylpentan-3-one.
What is the SMILES notation for 1-di(propan-2-yloxy)phosphoryl-1-hydroxy-1-phenylpentan-3-one?
The canonical SMILES for 1-di(propan-2-yloxy)phosphoryl-1-hydroxy-1-phenylpentan-3-one is CCC(=O)CC(O)(c1ccccc1)P(=O)(OC(C)C)OC(C)C.
What is the InChIKey of 1-di(propan-2-yloxy)phosphoryl-1-hydroxy-1-phenylpentan-3-one?
The InChIKey is UGFQLZUGSBTNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27O5P/c1-6-16(18)12-17(19,15-10-8-7-9-11-15)23(20,21-13(2)3)22-14(4)5/h7-11,13-14,19H,6,12H2,1-5H3.
What are the key properties of 1-di(propan-2-yloxy)phosphoryl-1-hydroxy-1-phenylpentan-3-one?
1-di(propan-2-yloxy)phosphoryl-1-hydroxy-1-phenylpentan-3-one has a molecular weight of 342.37 g/mol, XLogP of 4.24, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-di(propan-2-yloxy)phosphoryl-1-hydroxy-1-phenylpentan-3-one is sourced from PubChem (CID 102467744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).