(1-methoxy-3-phenoxypropan-2-yl) dihydrogen phosphate

C10H15O6P — CID 21023120

IUPAC(1-methoxy-3-phenoxypropan-2-yl) dihydrogen phosphate
SMILESCOCC(COc1ccccc1)OP(=O)(O)O
InChIInChI=1S/C10H15O6P/c1-14-7-10(16-17(11,12)13)8-15-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H2,11,12,13)
InChIKeyDAOBVOXMPVOXLE-UHFFFAOYSA-N
MW262.20 g/mol
LogP1.19
Rot. Bonds7

About (1-methoxy-3-phenoxypropan-2-yl) dihydrogen phosphate

(1-methoxy-3-phenoxypropan-2-yl) dihydrogen phosphate (PubChem CID 21023120) has the molecular formula C10H15O6P and a molecular weight of 262.20 g/mol. Its IUPAC name is (1-methoxy-3-phenoxypropan-2-yl) dihydrogen phosphate.

Molecular Properties

Compound Name(1-methoxy-3-phenoxypropan-2-yl) dihydrogen phosphate
PubChem CID21023120
Molecular FormulaC10H15O6P
Molecular Weight262.20 g/mol
Exact Mass262.06
IUPAC Name(1-methoxy-3-phenoxypropan-2-yl) dihydrogen phosphate
SMILESCOCC(COc1ccccc1)OP(=O)(O)O
InChIInChI=1S/C10H15O6P/c1-14-7-10(16-17(11,12)13)8-15-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H2,11,12,13)
InChIKeyDAOBVOXMPVOXLE-UHFFFAOYSA-N
XLogP1.19
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.20
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-phenoxydecan-2-yl dihydrogen phosphate
CID 122612592
1-(2-phenoxyethoxy)docosan-2-yl dihydrogen phosphate
CID 122612212
1-[2-(2-phenoxyethoxy)ethoxy]heptadecan-2-yl dihydrogen phosphate
CID 122612198
1-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]octadecan-2-yl dihydrogen phosphate
CID 122613122
1-[2-(2-phenoxyethoxy)ethoxy]icosan-2-yl dihydrogen phosphate
CID 122613231
(1-chloro-3-phenoxypropan-2-yl) dimethyl phosphate
CID 10803784
4-methoxy-2-(phenoxymethyl)butanoic acid
CID 117236995
(1-methoxy-3-phenoxypropan-2-yl) propane-1-sulfonate
CID 54119319
3-methoxy-2-phenoxypropan-1-ol
CID 154118183
[1-(4-nitrophenoxy)-3-phosphonooxypropan-2-yl] dihydrogen phosphate
CID 88813583
2-methoxyethoxy(3-phenoxypropyl)phosphinic acid
CID 139679827
2-phosphorosooxybutoxybenzene
CID 175007950

Frequently Asked Questions

What is the IUPAC name of (1-methoxy-3-phenoxypropan-2-yl) dihydrogen phosphate?
The IUPAC name of (1-methoxy-3-phenoxypropan-2-yl) dihydrogen phosphate (CID 21023120) is (1-methoxy-3-phenoxypropan-2-yl) dihydrogen phosphate.
What is the SMILES notation for (1-methoxy-3-phenoxypropan-2-yl) dihydrogen phosphate?
The canonical SMILES for (1-methoxy-3-phenoxypropan-2-yl) dihydrogen phosphate is COCC(COc1ccccc1)OP(=O)(O)O.
What is the InChIKey of (1-methoxy-3-phenoxypropan-2-yl) dihydrogen phosphate?
The InChIKey is DAOBVOXMPVOXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15O6P/c1-14-7-10(16-17(11,12)13)8-15-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H2,11,12,13).
What are the key properties of (1-methoxy-3-phenoxypropan-2-yl) dihydrogen phosphate?
(1-methoxy-3-phenoxypropan-2-yl) dihydrogen phosphate has a molecular weight of 262.20 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-3-phenoxypropan-2-yl) dihydrogen phosphate is sourced from PubChem (CID 21023120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).