(2-hydroxy-3-phenoxypropyl) methylphosphanylformate

C11H15O4P — CID 59790512

IUPAC(2-hydroxy-3-phenoxypropyl) methylphosphanylformate
SMILESCPC(=O)OCC(O)COc1ccccc1
InChIInChI=1S/C11H15O4P/c1-16-11(13)15-8-9(12)7-14-10-5-3-2-4-6-10/h2-6,9,12,16H,7-8H2,1H3
InChIKeyCUFJGACHKMSPIK-UHFFFAOYSA-N
MW242.21 g/mol
LogP1.87
Rot. Bonds6

About (2-hydroxy-3-phenoxypropyl) methylphosphanylformate

(2-hydroxy-3-phenoxypropyl) methylphosphanylformate (PubChem CID 59790512) has the molecular formula C11H15O4P and a molecular weight of 242.21 g/mol. Its IUPAC name is (2-hydroxy-3-phenoxypropyl) methylphosphanylformate.

Molecular Properties

Compound Name(2-hydroxy-3-phenoxypropyl) methylphosphanylformate
PubChem CID59790512
Molecular FormulaC11H15O4P
Molecular Weight242.21 g/mol
Exact Mass242.07
IUPAC Name(2-hydroxy-3-phenoxypropyl) methylphosphanylformate
SMILESCPC(=O)OCC(O)COc1ccccc1
InChIInChI=1S/C11H15O4P/c1-16-11(13)15-8-9(12)7-14-10-5-3-2-4-6-10/h2-6,9,12,16H,7-8H2,1H3
InChIKeyCUFJGACHKMSPIK-UHFFFAOYSA-N
XLogP1.87
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.21
LogP ≤ 51.87
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

[(2S)-2-hydroxy-3-phenoxypropyl] butanoate
CID 102180796
(2-hydroxy-3-phenoxypropyl) 2-methylidenebutanoate
CID 149436973
1-aminooxy-3-phenoxypropan-2-ol
CID 13273091
[2-hydroxy-3-[4-[2-[4-(2-hydroxy-3-phenoxycarbonyloxypropoxy)phenyl]propan-2-yl]phenoxy]propyl] phenyl carbonate
CID 139915038
(2-hydroxy-3-phenoxypropyl) 4-[4-(2-hydroxy-3-phenoxypropoxy)carbonylphenoxy]benzoate
CID 59866995
(2-hydroxy-3-phenoxypropyl) 4-tert-butylbenzoate
CID 122466220
[2-hydroxy-3-(4-phenylphenoxy)propyl] carbamate
CID 165353807
(2-hydroxy-3-phenoxypropyl) 3-formyloxy-2-hydroxypropanoate
CID 163450025
(2-hydroxy-3-phenoxypropyl) naphthalene-2-carboxylate
CID 23569597
2-hydroxy-3-phenoxypropanoic acid
CID 67592895
3-phenoxypropane-1,2-diol
CID 10857
3-phenoxypropane-1,2-diol
CID 158587241

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-phenoxypropyl) methylphosphanylformate?
The IUPAC name of (2-hydroxy-3-phenoxypropyl) methylphosphanylformate (CID 59790512) is (2-hydroxy-3-phenoxypropyl) methylphosphanylformate.
What is the SMILES notation for (2-hydroxy-3-phenoxypropyl) methylphosphanylformate?
The canonical SMILES for (2-hydroxy-3-phenoxypropyl) methylphosphanylformate is CPC(=O)OCC(O)COc1ccccc1.
What is the InChIKey of (2-hydroxy-3-phenoxypropyl) methylphosphanylformate?
The InChIKey is CUFJGACHKMSPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15O4P/c1-16-11(13)15-8-9(12)7-14-10-5-3-2-4-6-10/h2-6,9,12,16H,7-8H2,1H3.
What are the key properties of (2-hydroxy-3-phenoxypropyl) methylphosphanylformate?
(2-hydroxy-3-phenoxypropyl) methylphosphanylformate has a molecular weight of 242.21 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-phenoxypropyl) methylphosphanylformate is sourced from PubChem (CID 59790512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).