bis(2-phenoxypropyl) hydrogen phosphate

C18H23O6P — CID 21023163

IUPACbis(2-phenoxypropyl) hydrogen phosphate
SMILESCC(COP(=O)(O)OCC(C)Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C18H23O6P/c1-15(23-17-9-5-3-6-10-17)13-21-25(19,20)22-14-16(2)24-18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3,(H,19,20)
InChIKeyFXFDHOWDOTWUBG-UHFFFAOYSA-N
MW366.35 g/mol
LogP4.05
Rot. Bonds10

About bis(2-phenoxypropyl) hydrogen phosphate

bis(2-phenoxypropyl) hydrogen phosphate (PubChem CID 21023163) has the molecular formula C18H23O6P and a molecular weight of 366.35 g/mol. Its IUPAC name is bis(2-phenoxypropyl) hydrogen phosphate.

Molecular Properties

Compound Namebis(2-phenoxypropyl) hydrogen phosphate
PubChem CID21023163
Molecular FormulaC18H23O6P
Molecular Weight366.35 g/mol
Exact Mass366.12
IUPAC Namebis(2-phenoxypropyl) hydrogen phosphate
SMILESCC(COP(=O)(O)OCC(C)Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C18H23O6P/c1-15(23-17-9-5-3-6-10-17)13-21-25(19,20)22-14-16(2)24-18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3,(H,19,20)
InChIKeyFXFDHOWDOTWUBG-UHFFFAOYSA-N
XLogP4.05
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-phenoxypropyl dihydrogen phosphate
CID 21023142
1-phenoxypropan-2-yl 2-phenoxypropyl hydrogen phosphate
CID 21023123
(2-ethoxy-2-phenoxyethyl) octyl hydrogen phosphate
CID 54296903
1-ethenoxypropan-2-yloxybenzene
CID 19808106
benzene;ethane;2-phenoxypropan-1-ol
CID 145115512
[(2R)-2-(4-phenoxyphenoxy)propyl] acetate
CID 10589281
2-[2-(2-phenoxypropoxy)propoxy]propyl 2-methylpropanoate
CID 139884710
2-phenoxypropyl octanoate
CID 73080448
1-phenoxypropylphosphonic acid
CID 22151507
1-nonoxypropan-2-yloxybenzene
CID 154296421
bis[2-(2-phenoxyethoxy)hexyl] hydrogen phosphate
CID 139880754
12-hydroxytridecyl(phenoxy)phosphinic acid
CID 11360279

Frequently Asked Questions

What is the IUPAC name of bis(2-phenoxypropyl) hydrogen phosphate?
The IUPAC name of bis(2-phenoxypropyl) hydrogen phosphate (CID 21023163) is bis(2-phenoxypropyl) hydrogen phosphate.
What is the SMILES notation for bis(2-phenoxypropyl) hydrogen phosphate?
The canonical SMILES for bis(2-phenoxypropyl) hydrogen phosphate is CC(COP(=O)(O)OCC(C)Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of bis(2-phenoxypropyl) hydrogen phosphate?
The InChIKey is FXFDHOWDOTWUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23O6P/c1-15(23-17-9-5-3-6-10-17)13-21-25(19,20)22-14-16(2)24-18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3,(H,19,20).
What are the key properties of bis(2-phenoxypropyl) hydrogen phosphate?
bis(2-phenoxypropyl) hydrogen phosphate has a molecular weight of 366.35 g/mol, XLogP of 4.05, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-phenoxypropyl) hydrogen phosphate is sourced from PubChem (CID 21023163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).