[(2R)-2-chloro-3-phenoxypropyl] diphenyl phosphate

C21H20ClO5P — CID 177451805

IUPAC[(2R)-2-chloro-3-phenoxypropyl] diphenyl phosphate
SMILESO=P(OC[C@H](Cl)COc1ccccc1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C21H20ClO5P/c22-18(16-24-19-10-4-1-5-11-19)17-25-28(23,26-20-12-6-2-7-13-20)27-21-14-8-3-9-15-21/h1-15,18H,16-17H2/t18-/m1/s1
InChIKeyDNPJEGDLQAXBHR-GOSISDBHSA-N
MW418.81 g/mol
LogP5.96
Rot. Bonds10

About [(2R)-2-chloro-3-phenoxypropyl] diphenyl phosphate

[(2R)-2-chloro-3-phenoxypropyl] diphenyl phosphate (PubChem CID 177451805) has the molecular formula C21H20ClO5P and a molecular weight of 418.81 g/mol. Its IUPAC name is [(2R)-2-chloro-3-phenoxypropyl] diphenyl phosphate.

Molecular Properties

Compound Name[(2R)-2-chloro-3-phenoxypropyl] diphenyl phosphate
PubChem CID177451805
Molecular FormulaC21H20ClO5P
Molecular Weight418.81 g/mol
Exact Mass418.07
IUPAC Name[(2R)-2-chloro-3-phenoxypropyl] diphenyl phosphate
SMILESO=P(OC[C@H](Cl)COc1ccccc1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C21H20ClO5P/c22-18(16-24-19-10-4-1-5-11-19)17-25-28(23,26-20-12-6-2-7-13-20)27-21-14-8-3-9-15-21/h1-15,18H,16-17H2/t18-/m1/s1
InChIKeyDNPJEGDLQAXBHR-GOSISDBHSA-N
XLogP5.96
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.81
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

triphenyl phosphate;hydrate
CID 66881958
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
methoxymethyl diphenyl phosphate
CID 18345572
2-methylpropane;triphenyl phosphate
CID 91193965
chloro diphenyl phosphate;hydrate
CID 70610879
2-ethylhexyl diphenyl phosphate;phosphoric acid
CID 172820434
bis[2-(4-carbonochloridoylphenoxy)ethyl] phenyl phosphate
CID 101181146
diphenoxyphosphoryl diphenyl phosphate;propane
CID 162105616
chloroform;diphenyl hydrogen phosphate
CID 174899919
2-(dimethylamino)ethyl diphenyl phosphate
CID 169439172
[2-(2-chlorophenyl)-2-hydroxyiminoethyl] diphenyl phosphate
CID 174986190
CID 175741196
CID 175741196

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-chloro-3-phenoxypropyl] diphenyl phosphate?
The IUPAC name of [(2R)-2-chloro-3-phenoxypropyl] diphenyl phosphate (CID 177451805) is [(2R)-2-chloro-3-phenoxypropyl] diphenyl phosphate.
What is the SMILES notation for [(2R)-2-chloro-3-phenoxypropyl] diphenyl phosphate?
The canonical SMILES for [(2R)-2-chloro-3-phenoxypropyl] diphenyl phosphate is O=P(OC[C@H](Cl)COc1ccccc1)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of [(2R)-2-chloro-3-phenoxypropyl] diphenyl phosphate?
The InChIKey is DNPJEGDLQAXBHR-GOSISDBHSA-N. The full InChI is InChI=1S/C21H20ClO5P/c22-18(16-24-19-10-4-1-5-11-19)17-25-28(23,26-20-12-6-2-7-13-20)27-21-14-8-3-9-15-21/h1-15,18H,16-17H2/t18-/m1/s1.
What are the key properties of [(2R)-2-chloro-3-phenoxypropyl] diphenyl phosphate?
[(2R)-2-chloro-3-phenoxypropyl] diphenyl phosphate has a molecular weight of 418.81 g/mol, XLogP of 5.96, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-chloro-3-phenoxypropyl] diphenyl phosphate is sourced from PubChem (CID 177451805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).