(1R,2R)-1-dimethoxyphosphoryl-2-phenylpropan-1-ol

C11H17O4P — CID 125471602

IUPAC(1R,2R)-1-dimethoxyphosphoryl-2-phenylpropan-1-ol
SMILESCOP(=O)(OC)[C@@H](O)[C@H](C)c1ccccc1
InChIInChI=1S/C11H17O4P/c1-9(10-7-5-4-6-8-10)11(12)16(13,14-2)15-3/h4-9,11-12H,1-3H3/t9-,11-/m1/s1
InChIKeyOBSURBBCOPEUCN-MWLCHTKSSA-N
MW244.23 g/mol
LogP2.59
Rot. Bonds5

About (1R,2R)-1-dimethoxyphosphoryl-2-phenylpropan-1-ol

(1R,2R)-1-dimethoxyphosphoryl-2-phenylpropan-1-ol (PubChem CID 125471602) has the molecular formula C11H17O4P and a molecular weight of 244.23 g/mol. Its IUPAC name is (1R,2R)-1-dimethoxyphosphoryl-2-phenylpropan-1-ol.

Molecular Properties

Compound Name(1R,2R)-1-dimethoxyphosphoryl-2-phenylpropan-1-ol
PubChem CID125471602
Molecular FormulaC11H17O4P
Molecular Weight244.23 g/mol
Exact Mass244.09
IUPAC Name(1R,2R)-1-dimethoxyphosphoryl-2-phenylpropan-1-ol
SMILESCOP(=O)(OC)[C@@H](O)[C@H](C)c1ccccc1
InChIInChI=1S/C11H17O4P/c1-9(10-7-5-4-6-8-10)11(12)16(13,14-2)15-3/h4-9,11-12H,1-3H3/t9-,11-/m1/s1
InChIKeyOBSURBBCOPEUCN-MWLCHTKSSA-N
XLogP2.59
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 52.59
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

(1R,2R)-1-dimethoxyphosphoryl-2-(4-methylphenyl)propan-1-ol
CID 72715863
methyl (2S)-2-dimethoxyphosphoryl-2-phenylacetate
CID 129384892
(1S,2S)-1-dimethoxyphosphorylpropane-1,2-diol
CID 42612314
1-dimethoxyphosphorylpropane-1,2-diol
CID 74820780
(2-dimethoxyphosphoryl-1-phenylpropyl) acetate
CID 122399816
2-dimethoxyphosphoryl-N-[(1S)-1-phenylethyl]propanamide
CID 11737708
1-dibenzhydryloxyphosphorylethanol
CID 13148202
methyl 2-hydroxy-3-phenylbutanoate
CID 14023743
[dimethoxyphosphoryl(nitroso)methyl]benzene
CID 56977499
(1S)-1-dimethoxyphosphoryl-3-phenylpropan-1-ol
CID 102595949
[dimethoxyphosphoryl(phenyl)methyl] acetate
CID 10923196
1,1-dihydroperoxypropan-2-ylbenzene
CID 135041472

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-dimethoxyphosphoryl-2-phenylpropan-1-ol?
The IUPAC name of (1R,2R)-1-dimethoxyphosphoryl-2-phenylpropan-1-ol (CID 125471602) is (1R,2R)-1-dimethoxyphosphoryl-2-phenylpropan-1-ol.
What is the SMILES notation for (1R,2R)-1-dimethoxyphosphoryl-2-phenylpropan-1-ol?
The canonical SMILES for (1R,2R)-1-dimethoxyphosphoryl-2-phenylpropan-1-ol is COP(=O)(OC)[C@@H](O)[C@H](C)c1ccccc1.
What is the InChIKey of (1R,2R)-1-dimethoxyphosphoryl-2-phenylpropan-1-ol?
The InChIKey is OBSURBBCOPEUCN-MWLCHTKSSA-N. The full InChI is InChI=1S/C11H17O4P/c1-9(10-7-5-4-6-8-10)11(12)16(13,14-2)15-3/h4-9,11-12H,1-3H3/t9-,11-/m1/s1.
What are the key properties of (1R,2R)-1-dimethoxyphosphoryl-2-phenylpropan-1-ol?
(1R,2R)-1-dimethoxyphosphoryl-2-phenylpropan-1-ol has a molecular weight of 244.23 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-dimethoxyphosphoryl-2-phenylpropan-1-ol is sourced from PubChem (CID 125471602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).