[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]oxy-(3-phenylpropyl)phosphinic acid

C19H23O5P — CID 10044169

IUPAC[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]oxy-(3-phenylpropyl)phosphinic acid
SMILESC[C@H](OP(=O)(O)CCCc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C19H23O5P/c1-16(19(20)23-15-18-11-6-3-7-12-18)24-25(21,22)14-8-13-17-9-4-2-5-10-17/h2-7,9-12,16H,8,13-15H2,1H3,(H,21,22)/t16-/m0/s1
InChIKeyWUDUDUOSPIRCPM-INIZCTEOSA-N
MW362.36 g/mol
LogP3.95
Rot. Bonds9

About [(2S)-1-oxo-1-phenylmethoxypropan-2-yl]oxy-(3-phenylpropyl)phosphinic acid

[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]oxy-(3-phenylpropyl)phosphinic acid (PubChem CID 10044169) has the molecular formula C19H23O5P and a molecular weight of 362.36 g/mol. Its IUPAC name is [(2S)-1-oxo-1-phenylmethoxypropan-2-yl]oxy-(3-phenylpropyl)phosphinic acid.

Molecular Properties

Compound Name[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]oxy-(3-phenylpropyl)phosphinic acid
PubChem CID10044169
Molecular FormulaC19H23O5P
Molecular Weight362.36 g/mol
Exact Mass362.13
IUPAC Name[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]oxy-(3-phenylpropyl)phosphinic acid
SMILESC[C@H](OP(=O)(O)CCCc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C19H23O5P/c1-16(19(20)23-15-18-11-6-3-7-12-18)24-25(21,22)14-8-13-17-9-4-2-5-10-17/h2-7,9-12,16H,8,13-15H2,1H3,(H,21,22)/t16-/m0/s1
InChIKeyWUDUDUOSPIRCPM-INIZCTEOSA-N
XLogP3.95
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-phenylethyl(phenylmethoxy)phosphinic acid
CID 54325821
benzyl (2S)-2-aminopropanoate
CID 726858
[(2R)-1-oxo-1-[(2R)-1-oxo-1-[(2R)-1-oxo-1-[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl] (2S)-2-hydroxypropanoate
CID 126705764
[1-oxo-1-[1-oxo-1-[1-oxo-1-(1-oxo-1-phenylmethoxypropan-2-yl)oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl] 2-acetyloxypropanoate
CID 126688958
[(2S)-1-oxo-1-[(2S)-1-oxo-1-[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl] (2S)-2-acetyloxypropanoate
CID 126688929
benzyl (2S)-2-cyclopropylpropanoate
CID 59779045
benzyl (2S,3S)-3-hydroxy-2-methyl-5-phenylpentanoate
CID 102173872
(1-oxo-1-phenylmethoxypropan-2-yl) 2-amino-3-methylbutanoate
CID 59575428
1-O-methyl 2-O-(1-oxo-1-phenylmethoxypropan-2-yl) oxalate
CID 172654611
methyl-(2-methyl-3,4-dioxo-4-phenylmethoxybutyl)phosphinic acid
CID 59235825
benzyl 4-phenylbutanoate
CID 11961623
benzyl (2R)-2-methyl-3-oxobutanoate
CID 101065434

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-phenylmethoxypropan-2-yl]oxy-(3-phenylpropyl)phosphinic acid?
The IUPAC name of [(2S)-1-oxo-1-phenylmethoxypropan-2-yl]oxy-(3-phenylpropyl)phosphinic acid (CID 10044169) is [(2S)-1-oxo-1-phenylmethoxypropan-2-yl]oxy-(3-phenylpropyl)phosphinic acid.
What is the SMILES notation for [(2S)-1-oxo-1-phenylmethoxypropan-2-yl]oxy-(3-phenylpropyl)phosphinic acid?
The canonical SMILES for [(2S)-1-oxo-1-phenylmethoxypropan-2-yl]oxy-(3-phenylpropyl)phosphinic acid is C[C@H](OP(=O)(O)CCCc1ccccc1)C(=O)OCc1ccccc1.
What is the InChIKey of [(2S)-1-oxo-1-phenylmethoxypropan-2-yl]oxy-(3-phenylpropyl)phosphinic acid?
The InChIKey is WUDUDUOSPIRCPM-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23O5P/c1-16(19(20)23-15-18-11-6-3-7-12-18)24-25(21,22)14-8-13-17-9-4-2-5-10-17/h2-7,9-12,16H,8,13-15H2,1H3,(H,21,22)/t16-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-phenylmethoxypropan-2-yl]oxy-(3-phenylpropyl)phosphinic acid?
[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]oxy-(3-phenylpropyl)phosphinic acid has a molecular weight of 362.36 g/mol, XLogP of 3.95, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-phenylmethoxypropan-2-yl]oxy-(3-phenylpropyl)phosphinic acid is sourced from PubChem (CID 10044169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).