(1R,2R)-2-diethoxyphosphoryl-1-phenyl-2-phenylmethoxyethanol

C19H25O5P — CID 102333800

IUPAC(1R,2R)-2-diethoxyphosphoryl-1-phenyl-2-phenylmethoxyethanol
SMILESCCOP(=O)(OCC)[C@@H](OCc1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C19H25O5P/c1-3-23-25(21,24-4-2)19(18(20)17-13-9-6-10-14-17)22-15-16-11-7-5-8-12-16/h5-14,18-20H,3-4,15H2,1-2H3/t18-,19-/m1/s1
InChIKeyALQBAVMROPXYSC-RTBURBONSA-N
MW364.38 g/mol
LogP4.53
Rot. Bonds10

About (1R,2R)-2-diethoxyphosphoryl-1-phenyl-2-phenylmethoxyethanol

(1R,2R)-2-diethoxyphosphoryl-1-phenyl-2-phenylmethoxyethanol (PubChem CID 102333800) has the molecular formula C19H25O5P and a molecular weight of 364.38 g/mol. Its IUPAC name is (1R,2R)-2-diethoxyphosphoryl-1-phenyl-2-phenylmethoxyethanol.

Molecular Properties

Compound Name(1R,2R)-2-diethoxyphosphoryl-1-phenyl-2-phenylmethoxyethanol
PubChem CID102333800
Molecular FormulaC19H25O5P
Molecular Weight364.38 g/mol
Exact Mass364.14
IUPAC Name(1R,2R)-2-diethoxyphosphoryl-1-phenyl-2-phenylmethoxyethanol
SMILESCCOP(=O)(OCC)[C@@H](OCc1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C19H25O5P/c1-3-23-25(21,24-4-2)19(18(20)17-13-9-6-10-14-17)22-15-16-11-7-5-8-12-16/h5-14,18-20H,3-4,15H2,1-2H3/t18-,19-/m1/s1
InChIKeyALQBAVMROPXYSC-RTBURBONSA-N
XLogP4.53
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-diethoxyphosphoryl-3-phenylmethoxypropan-1-ol
CID 134942131
2-diethoxyphosphoryl-1-phenylhexan-1-ol
CID 42646641
bis(diethoxyphosphoryl)methylbenzene
CID 11132243
benzyl 2-phenyl-2-propoxyacetate
CID 57015298
1-diethoxyphosphoryl-3-phenylpropan-1-ol
CID 12930490
4,4-bis(diethoxyphosphoryl)-N,N-diethyl-2-phenylmethoxybutan-1-amine
CID 10839334
(1S,2S,4S)-2-diphenylphosphoryl-1,4-diphenyl-4-phenylmethoxybutan-1-ol
CID 10896754
(S)-diethoxyphosphoryl-(3-phenylmethoxyphenyl)methanamine
CID 171191904
diethyl [(2S,3R,4R,5R)-2,5,6-trihydroxy-3,4-bis(phenylmethoxy)hexyl] phosphate
CID 70348497
4,4-bis(diethoxyphosphoryl)butylbenzene
CID 10150860
2-[diethoxyphosphoryl(methyl)amino]-1-phenylpropan-1-ol
CID 66624386
(1R)-2-(benzylamino)-1-diethoxyphosphorylethanol
CID 10968155

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-diethoxyphosphoryl-1-phenyl-2-phenylmethoxyethanol?
The IUPAC name of (1R,2R)-2-diethoxyphosphoryl-1-phenyl-2-phenylmethoxyethanol (CID 102333800) is (1R,2R)-2-diethoxyphosphoryl-1-phenyl-2-phenylmethoxyethanol.
What is the SMILES notation for (1R,2R)-2-diethoxyphosphoryl-1-phenyl-2-phenylmethoxyethanol?
The canonical SMILES for (1R,2R)-2-diethoxyphosphoryl-1-phenyl-2-phenylmethoxyethanol is CCOP(=O)(OCC)[C@@H](OCc1ccccc1)[C@H](O)c1ccccc1.
What is the InChIKey of (1R,2R)-2-diethoxyphosphoryl-1-phenyl-2-phenylmethoxyethanol?
The InChIKey is ALQBAVMROPXYSC-RTBURBONSA-N. The full InChI is InChI=1S/C19H25O5P/c1-3-23-25(21,24-4-2)19(18(20)17-13-9-6-10-14-17)22-15-16-11-7-5-8-12-16/h5-14,18-20H,3-4,15H2,1-2H3/t18-,19-/m1/s1.
What are the key properties of (1R,2R)-2-diethoxyphosphoryl-1-phenyl-2-phenylmethoxyethanol?
(1R,2R)-2-diethoxyphosphoryl-1-phenyl-2-phenylmethoxyethanol has a molecular weight of 364.38 g/mol, XLogP of 4.53, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-diethoxyphosphoryl-1-phenyl-2-phenylmethoxyethanol is sourced from PubChem (CID 102333800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).