1-[[ethyl(methyl)phosphoryl]-(2-hydroxy-3-methoxypropoxy)methoxy]-3-methoxypropan-2-ol

C12H27O7P — CID 59281000

IUPAC1-[[ethyl(methyl)phosphoryl]-(2-hydroxy-3-methoxypropoxy)methoxy]-3-methoxypropan-2-ol
SMILESCCP(C)(=O)C(OCC(O)COC)OCC(O)COC
InChIInChI=1S/C12H27O7P/c1-5-20(4,15)12(18-8-10(13)6-16-2)19-9-11(14)7-17-3/h10-14H,5-9H2,1-4H3
InChIKeySHLAYNQWIVZPKF-UHFFFAOYSA-N
MW314.32 g/mol
LogP0.33
Rot. Bonds12

About 1-[[ethyl(methyl)phosphoryl]-(2-hydroxy-3-methoxypropoxy)methoxy]-3-methoxypropan-2-ol

1-[[ethyl(methyl)phosphoryl]-(2-hydroxy-3-methoxypropoxy)methoxy]-3-methoxypropan-2-ol (PubChem CID 59281000) has the molecular formula C12H27O7P and a molecular weight of 314.32 g/mol. Its IUPAC name is 1-[[ethyl(methyl)phosphoryl]-(2-hydroxy-3-methoxypropoxy)methoxy]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[[ethyl(methyl)phosphoryl]-(2-hydroxy-3-methoxypropoxy)methoxy]-3-methoxypropan-2-ol
PubChem CID59281000
Molecular FormulaC12H27O7P
Molecular Weight314.32 g/mol
Exact Mass314.15
IUPAC Name1-[[ethyl(methyl)phosphoryl]-(2-hydroxy-3-methoxypropoxy)methoxy]-3-methoxypropan-2-ol
SMILESCCP(C)(=O)C(OCC(O)COC)OCC(O)COC
InChIInChI=1S/C12H27O7P/c1-5-20(4,15)12(18-8-10(13)6-16-2)19-9-11(14)7-17-3/h10-14H,5-9H2,1-4H3
InChIKeySHLAYNQWIVZPKF-UHFFFAOYSA-N
XLogP0.33
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 107508429
1,3-bis(1,3-dimethoxypropan-2-yloxy)propan-2-ol
CID 71445138
methane;1-methoxybutan-2-ol
CID 161499525
1,5-dimethoxypentane-2,4-diol
CID 88937884
[(2R)-2-hydroxy-3-methoxypropyl] hypochlorite
CID 129235320
(2R)-1-methoxy-3-(trideuteriomethoxy)propan-2-ol
CID 138753644
1-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]-3-(2-methoxyethoxy)propan-2-ol
CID 132556170
(2-hydroxy-3-methoxypropyl) 2-methylprop-2-enoate
CID 15315335
(2S)-1-(18F)fluoro-3-methoxypropan-2-ol
CID 122413426
1-fluoro-3-methoxypropan-2-ol
CID 53422469
(2R)-1-butoxy-3-methoxypropan-2-ol
CID 89035731
1-[1-[1-[1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]-3-methoxypropan-2-ol;prop-2-enoic acid
CID 87464905

Frequently Asked Questions

What is the IUPAC name of 1-[[ethyl(methyl)phosphoryl]-(2-hydroxy-3-methoxypropoxy)methoxy]-3-methoxypropan-2-ol?
The IUPAC name of 1-[[ethyl(methyl)phosphoryl]-(2-hydroxy-3-methoxypropoxy)methoxy]-3-methoxypropan-2-ol (CID 59281000) is 1-[[ethyl(methyl)phosphoryl]-(2-hydroxy-3-methoxypropoxy)methoxy]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[[ethyl(methyl)phosphoryl]-(2-hydroxy-3-methoxypropoxy)methoxy]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[[ethyl(methyl)phosphoryl]-(2-hydroxy-3-methoxypropoxy)methoxy]-3-methoxypropan-2-ol is CCP(C)(=O)C(OCC(O)COC)OCC(O)COC.
What is the InChIKey of 1-[[ethyl(methyl)phosphoryl]-(2-hydroxy-3-methoxypropoxy)methoxy]-3-methoxypropan-2-ol?
The InChIKey is SHLAYNQWIVZPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27O7P/c1-5-20(4,15)12(18-8-10(13)6-16-2)19-9-11(14)7-17-3/h10-14H,5-9H2,1-4H3.
What are the key properties of 1-[[ethyl(methyl)phosphoryl]-(2-hydroxy-3-methoxypropoxy)methoxy]-3-methoxypropan-2-ol?
1-[[ethyl(methyl)phosphoryl]-(2-hydroxy-3-methoxypropoxy)methoxy]-3-methoxypropan-2-ol has a molecular weight of 314.32 g/mol, XLogP of 0.33, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[ethyl(methyl)phosphoryl]-(2-hydroxy-3-methoxypropoxy)methoxy]-3-methoxypropan-2-ol is sourced from PubChem (CID 59281000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).