2-phenoxypropyl dihydrogen phosphate

C9H13O5P — CID 21023142

IUPAC2-phenoxypropyl dihydrogen phosphate
SMILESCC(COP(=O)(O)O)Oc1ccccc1
InChIInChI=1S/C9H13O5P/c1-8(7-13-15(10,11)12)14-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,10,11,12)
InChIKeyKFRLVSZFFIPTIV-UHFFFAOYSA-N
MW232.17 g/mol
LogP1.56
Rot. Bonds5

About 2-phenoxypropyl dihydrogen phosphate

2-phenoxypropyl dihydrogen phosphate (PubChem CID 21023142) has the molecular formula C9H13O5P and a molecular weight of 232.17 g/mol. Its IUPAC name is 2-phenoxypropyl dihydrogen phosphate.

Molecular Properties

Compound Name2-phenoxypropyl dihydrogen phosphate
PubChem CID21023142
Molecular FormulaC9H13O5P
Molecular Weight232.17 g/mol
Exact Mass232.05
IUPAC Name2-phenoxypropyl dihydrogen phosphate
SMILESCC(COP(=O)(O)O)Oc1ccccc1
InChIInChI=1S/C9H13O5P/c1-8(7-13-15(10,11)12)14-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,10,11,12)
InChIKeyKFRLVSZFFIPTIV-UHFFFAOYSA-N
XLogP1.56
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.17
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(2-phenoxypropyl) hydrogen phosphate
CID 21023163
1-phenoxypropan-2-yl 2-phenoxypropyl hydrogen phosphate
CID 21023123
1-ethenoxypropan-2-yloxybenzene
CID 19808106
benzene;ethane;2-phenoxypropan-1-ol
CID 145115512
2-[2-(2-phenoxyicosoxy)ethoxy]ethyl dihydrogen phosphate
CID 151774645
2-[2-(2-phenoxyheptadecoxy)ethoxy]ethyl dihydrogen phosphate
CID 150437630
2-[2-(2-phenoxydodecoxy)ethoxy]ethyl dihydrogen phosphate
CID 150186674
[(2R)-2-(4-phenoxyphenoxy)propyl] acetate
CID 10589281
2-[2-(2-phenoxypropoxy)propoxy]propyl 2-methylpropanoate
CID 139884710
2-phenoxypropyl octanoate
CID 73080448
cumene;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl dihydrogen phosphate
CID 160847219
1-phenoxypropylphosphonic acid
CID 22151507

Frequently Asked Questions

What is the IUPAC name of 2-phenoxypropyl dihydrogen phosphate?
The IUPAC name of 2-phenoxypropyl dihydrogen phosphate (CID 21023142) is 2-phenoxypropyl dihydrogen phosphate.
What is the SMILES notation for 2-phenoxypropyl dihydrogen phosphate?
The canonical SMILES for 2-phenoxypropyl dihydrogen phosphate is CC(COP(=O)(O)O)Oc1ccccc1.
What is the InChIKey of 2-phenoxypropyl dihydrogen phosphate?
The InChIKey is KFRLVSZFFIPTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13O5P/c1-8(7-13-15(10,11)12)14-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,10,11,12).
What are the key properties of 2-phenoxypropyl dihydrogen phosphate?
2-phenoxypropyl dihydrogen phosphate has a molecular weight of 232.17 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxypropyl dihydrogen phosphate is sourced from PubChem (CID 21023142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).