1-[methoxy(methyl)phosphoryl]oxypropan-2-ol

C5H13O4P — CID 14451329

IUPAC1-[methoxy(methyl)phosphoryl]oxypropan-2-ol
SMILESCOP(C)(=O)OCC(C)O
InChIInChI=1S/C5H13O4P/c1-5(6)4-9-10(3,7)8-2/h5-6H,4H2,1-3H3
InChIKeyHXGLAKFUDLWWNZ-UHFFFAOYSA-N
MW168.13 g/mol
LogP0.85
Rot. Bonds4

About 1-[methoxy(methyl)phosphoryl]oxypropan-2-ol

1-[methoxy(methyl)phosphoryl]oxypropan-2-ol (PubChem CID 14451329) has the molecular formula C5H13O4P and a molecular weight of 168.13 g/mol. Its IUPAC name is 1-[methoxy(methyl)phosphoryl]oxypropan-2-ol.

Molecular Properties

Compound Name1-[methoxy(methyl)phosphoryl]oxypropan-2-ol
PubChem CID14451329
Molecular FormulaC5H13O4P
Molecular Weight168.13 g/mol
Exact Mass168.06
IUPAC Name1-[methoxy(methyl)phosphoryl]oxypropan-2-ol
SMILESCOP(C)(=O)OCC(C)O
InChIInChI=1S/C5H13O4P/c1-5(6)4-9-10(3,7)8-2/h5-6H,4H2,1-3H3
InChIKeyHXGLAKFUDLWWNZ-UHFFFAOYSA-N
XLogP0.85
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.13
LogP ≤ 50.85
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

3-[methoxy(methyl)phosphoryl]oxy-2-methylpropanoic acid
CID 126576964
2-amino-3-[methoxy(methyl)phosphoryl]oxypropanoic acid
CID 126576977
calcium 2-hydroxypropyl phosphate
CID 20976017
1,2-bis[[methoxy(methyl)phosphoryl]oxy]ethane
CID 18714474
[1-hydroxy-1-[hydroxy(2-hydroxypropoxy)phosphoryl]ethyl]-(2-hydroxypropoxy)phosphinic acid
CID 101034790
3-[bis(1-hydroxyethyl)amino]pentan-3-ylphosphonic acid;[methoxy(methyl)phosphoryl]oxymethane
CID 19812120
1-[2-methoxyethoxy(methyl)phosphoryl]oxy-2-methylpropane
CID 170850888
2-methyl-1-[methyl(2-methylbutoxy)phosphoryl]oxybutane
CID 170850967
1-[methoxy(methyl)phosphoryl]oxy-2,2-dimethylpropane
CID 91752261
CID 57459832
CID 57459832
methane;[methoxy(methyl)phosphoryl]oxymethane
CID 161343110
1-methoxypropan-2-ol chloride
CID 23303898

Frequently Asked Questions

What is the IUPAC name of 1-[methoxy(methyl)phosphoryl]oxypropan-2-ol?
The IUPAC name of 1-[methoxy(methyl)phosphoryl]oxypropan-2-ol (CID 14451329) is 1-[methoxy(methyl)phosphoryl]oxypropan-2-ol.
What is the SMILES notation for 1-[methoxy(methyl)phosphoryl]oxypropan-2-ol?
The canonical SMILES for 1-[methoxy(methyl)phosphoryl]oxypropan-2-ol is COP(C)(=O)OCC(C)O.
What is the InChIKey of 1-[methoxy(methyl)phosphoryl]oxypropan-2-ol?
The InChIKey is HXGLAKFUDLWWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O4P/c1-5(6)4-9-10(3,7)8-2/h5-6H,4H2,1-3H3.
What are the key properties of 1-[methoxy(methyl)phosphoryl]oxypropan-2-ol?
1-[methoxy(methyl)phosphoryl]oxypropan-2-ol has a molecular weight of 168.13 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methoxy(methyl)phosphoryl]oxypropan-2-ol is sourced from PubChem (CID 14451329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).