[(3-fluorophenyl)-hydroxymethyl] 2-trimethylsilylethyl hydrogen phosphate

C12H20FO5PSi — CID 91424254

IUPAC[(3-fluorophenyl)-hydroxymethyl] 2-trimethylsilylethyl hydrogen phosphate
SMILESC[Si](C)(C)CCOP(=O)(O)OC(O)c1cccc(F)c1
InChIInChI=1S/C12H20FO5PSi/c1-20(2,3)8-7-17-19(15,16)18-12(14)10-5-4-6-11(13)9-10/h4-6,9,12,14H,7-8H2,1-3H3,(H,15,16)
InChIKeyBHYHCVZNSWSXSR-UHFFFAOYSA-N
MW322.35 g/mol
LogP3.29
Rot. Bonds7

About [(3-fluorophenyl)-hydroxymethyl] 2-trimethylsilylethyl hydrogen phosphate

[(3-fluorophenyl)-hydroxymethyl] 2-trimethylsilylethyl hydrogen phosphate (PubChem CID 91424254) has the molecular formula C12H20FO5PSi and a molecular weight of 322.35 g/mol. Its IUPAC name is [(3-fluorophenyl)-hydroxymethyl] 2-trimethylsilylethyl hydrogen phosphate.

Molecular Properties

Compound Name[(3-fluorophenyl)-hydroxymethyl] 2-trimethylsilylethyl hydrogen phosphate
PubChem CID91424254
Molecular FormulaC12H20FO5PSi
Molecular Weight322.35 g/mol
Exact Mass322.08
IUPAC Name[(3-fluorophenyl)-hydroxymethyl] 2-trimethylsilylethyl hydrogen phosphate
SMILESC[Si](C)(C)CCOP(=O)(O)OC(O)c1cccc(F)c1
InChIInChI=1S/C12H20FO5PSi/c1-20(2,3)8-7-17-19(15,16)18-12(14)10-5-4-6-11(13)9-10/h4-6,9,12,14H,7-8H2,1-3H3,(H,15,16)
InChIKeyBHYHCVZNSWSXSR-UHFFFAOYSA-N
XLogP3.29
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-diethoxyphosphoryl-2-(3-fluorophenyl)acetate
CID 19920663
[1-(3-fluorophenyl)-1-hydroxy-3-trimethylsilylpropyl]phosphonic acid
CID 174402732
2-trimethylsilylethyl N-(3-fluorophenyl)carbamate
CID 68758194
2-(3-fluorophenyl)-2-propoxyacetic acid
CID 83224812
1-(3-fluorophenyl)-1-propoxypropan-2-one
CID 83226536
[(3-fluorophenyl)-trimethylsilylmethyl]-trimethylsilane
CID 23235532
1-(3-fluorophenyl)hexan-1-ol
CID 62607026
2,2-dichloro-1-(3-fluorophenyl)-2-methylsulfonylethanol
CID 102550189
2-ethoxy-2-(3-fluorophenyl)acetic acid
CID 68560749
2-(3-fluorophenoxy)-N-(3-methoxypropyl)acetamide
CID 60626010
ethyl 3-(3-fluorophenyl)-2,3-dihydroxypropanoate
CID 171865537
3-(2,2-difluoroethoxy)-1-(3-fluorophenyl)propan-1-ol
CID 103147844

Frequently Asked Questions

What is the IUPAC name of [(3-fluorophenyl)-hydroxymethyl] 2-trimethylsilylethyl hydrogen phosphate?
The IUPAC name of [(3-fluorophenyl)-hydroxymethyl] 2-trimethylsilylethyl hydrogen phosphate (CID 91424254) is [(3-fluorophenyl)-hydroxymethyl] 2-trimethylsilylethyl hydrogen phosphate.
What is the SMILES notation for [(3-fluorophenyl)-hydroxymethyl] 2-trimethylsilylethyl hydrogen phosphate?
The canonical SMILES for [(3-fluorophenyl)-hydroxymethyl] 2-trimethylsilylethyl hydrogen phosphate is C[Si](C)(C)CCOP(=O)(O)OC(O)c1cccc(F)c1.
What is the InChIKey of [(3-fluorophenyl)-hydroxymethyl] 2-trimethylsilylethyl hydrogen phosphate?
The InChIKey is BHYHCVZNSWSXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FO5PSi/c1-20(2,3)8-7-17-19(15,16)18-12(14)10-5-4-6-11(13)9-10/h4-6,9,12,14H,7-8H2,1-3H3,(H,15,16).
What are the key properties of [(3-fluorophenyl)-hydroxymethyl] 2-trimethylsilylethyl hydrogen phosphate?
[(3-fluorophenyl)-hydroxymethyl] 2-trimethylsilylethyl hydrogen phosphate has a molecular weight of 322.35 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-fluorophenyl)-hydroxymethyl] 2-trimethylsilylethyl hydrogen phosphate is sourced from PubChem (CID 91424254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).