(1R,2R)-1-dimethoxyphosphoryl-2-(4-methylphenyl)propan-1-ol

C12H19O4P — CID 72715863

IUPAC(1R,2R)-1-dimethoxyphosphoryl-2-(4-methylphenyl)propan-1-ol
SMILESCOP(=O)(OC)[C@@H](O)[C@H](C)c1ccc(C)cc1
InChIInChI=1S/C12H19O4P/c1-9-5-7-11(8-6-9)10(2)12(13)17(14,15-3)16-4/h5-8,10,12-13H,1-4H3/t10-,12-/m1/s1
InChIKeyYZVCEVMUURUUAF-ZYHUDNBSSA-N
MW258.25 g/mol
LogP2.90
Rot. Bonds5

About (1R,2R)-1-dimethoxyphosphoryl-2-(4-methylphenyl)propan-1-ol

(1R,2R)-1-dimethoxyphosphoryl-2-(4-methylphenyl)propan-1-ol (PubChem CID 72715863) has the molecular formula C12H19O4P and a molecular weight of 258.25 g/mol. Its IUPAC name is (1R,2R)-1-dimethoxyphosphoryl-2-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name(1R,2R)-1-dimethoxyphosphoryl-2-(4-methylphenyl)propan-1-ol
PubChem CID72715863
Molecular FormulaC12H19O4P
Molecular Weight258.25 g/mol
Exact Mass258.10
IUPAC Name(1R,2R)-1-dimethoxyphosphoryl-2-(4-methylphenyl)propan-1-ol
SMILESCOP(=O)(OC)[C@@H](O)[C@H](C)c1ccc(C)cc1
InChIInChI=1S/C12H19O4P/c1-9-5-7-11(8-6-9)10(2)12(13)17(14,15-3)16-4/h5-8,10,12-13H,1-4H3/t10-,12-/m1/s1
InChIKeyYZVCEVMUURUUAF-ZYHUDNBSSA-N
XLogP2.90
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 52.90
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-phenylpropan-1-ol
CID 125471602
(3R)-1-dimethoxyphosphoryl-3-(4-methylphenyl)butan-1-ol
CID 11391621
(S)-[[(S)-hydroxy-(4-methylphenyl)methyl]-methoxyphosphoryl]-(4-methylphenyl)methanol
CID 15447343
methyl 2-hydroxy-3-(4-methylphenyl)butanoate
CID 66289000
dimethyl 2-[(S)-dimethoxyphosphoryl-(4-methylphenyl)methyl]propanedioate
CID 101159725
1-dimethoxyphosphorylpropane-1,2-diol
CID 74820780
(1S,2S)-1-dimethoxyphosphorylpropane-1,2-diol
CID 42612314
dimethyl 2-[1-(4-methylphenyl)ethyl]propanedioate
CID 141073428
[(S)-hydroxy-(4-methylphenyl)methyl]-methoxy-oxophosphanium
CID 10932461
(S)-N-[(1R,2S)-1-dimethoxyphosphoryl-2-hydroxypropyl]-4-methylbenzenesulfinamide
CID 11067199
[hydroxy-(4-methylphenyl)methyl]phosphonic acid
CID 21265713
(1R,2S)-2-amino-1-diethoxyphosphoryl-2-(4-methylphenyl)ethanol
CID 101084250

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-dimethoxyphosphoryl-2-(4-methylphenyl)propan-1-ol?
The IUPAC name of (1R,2R)-1-dimethoxyphosphoryl-2-(4-methylphenyl)propan-1-ol (CID 72715863) is (1R,2R)-1-dimethoxyphosphoryl-2-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for (1R,2R)-1-dimethoxyphosphoryl-2-(4-methylphenyl)propan-1-ol?
The canonical SMILES for (1R,2R)-1-dimethoxyphosphoryl-2-(4-methylphenyl)propan-1-ol is COP(=O)(OC)[C@@H](O)[C@H](C)c1ccc(C)cc1.
What is the InChIKey of (1R,2R)-1-dimethoxyphosphoryl-2-(4-methylphenyl)propan-1-ol?
The InChIKey is YZVCEVMUURUUAF-ZYHUDNBSSA-N. The full InChI is InChI=1S/C12H19O4P/c1-9-5-7-11(8-6-9)10(2)12(13)17(14,15-3)16-4/h5-8,10,12-13H,1-4H3/t10-,12-/m1/s1.
What are the key properties of (1R,2R)-1-dimethoxyphosphoryl-2-(4-methylphenyl)propan-1-ol?
(1R,2R)-1-dimethoxyphosphoryl-2-(4-methylphenyl)propan-1-ol has a molecular weight of 258.25 g/mol, XLogP of 2.90, 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-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 72715863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).