benzyl dihydrogen phosphate;ethoxyethane

C11H19O5P — CID 67119526

IUPACbenzyl dihydrogen phosphate;ethoxyethane
SMILESCCOCC.O=P(O)(O)OCc1ccccc1
InChIInChI=1S/C7H9O4P.C4H10O/c8-12(9,10)11-6-7-4-2-1-3-5-7;1-3-5-4-2/h1-5H,6H2,(H2,8,9,10);3-4H2,1-2H3
InChIKeyJXCDLPAKOPSDPD-UHFFFAOYSA-N
MW262.24 g/mol
LogP2.34
Rot. Bonds5

About benzyl dihydrogen phosphate;ethoxyethane

benzyl dihydrogen phosphate;ethoxyethane (PubChem CID 67119526) has the molecular formula C11H19O5P and a molecular weight of 262.24 g/mol. Its IUPAC name is benzyl dihydrogen phosphate;ethoxyethane.

Molecular Properties

Compound Namebenzyl dihydrogen phosphate;ethoxyethane
PubChem CID67119526
Molecular FormulaC11H19O5P
Molecular Weight262.24 g/mol
Exact Mass262.10
IUPAC Namebenzyl dihydrogen phosphate;ethoxyethane
SMILESCCOCC.O=P(O)(O)OCc1ccccc1
InChIInChI=1S/C7H9O4P.C4H10O/c8-12(9,10)11-6-7-4-2-1-3-5-7;1-3-5-4-2/h1-5H,6H2,(H2,8,9,10);3-4H2,1-2H3
InChIKeyJXCDLPAKOPSDPD-UHFFFAOYSA-N
XLogP2.34
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 52.34
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

[4-(phosphonooxymethyl)phenyl]methyl dihydrogen phosphate
CID 118583982
benzyl dihydrogen phosphate;octan-1-amine
CID 160516288
dibenzyl hydrogen phosphate;silver
CID 85301331
phenylmethoxymethylbenzene;phosphoric acid
CID 141118417
(213C)ethoxymethylbenzene
CID 87947851
[hydroxy(phenylmethoxy)phosphoryl]phosphonic acid
CID 87473581
2-phenylethyl(phenylmethoxy)phosphinic acid
CID 54325821
3-ethoxycarbonylpentan-3-yl(phenylmethoxy)phosphinic acid
CID 18386679
benzyl ethyl methyl phosphate
CID 152677778
1-bis(phenylmethoxy)phosphorylethanone
CID 12524609
benzyl tert-butyl hydrogen phosphate
CID 140989025
[(2R)-2-phenylmethoxyhenicosyl] dihydrogen phosphate
CID 175428247

Frequently Asked Questions

What is the IUPAC name of benzyl dihydrogen phosphate;ethoxyethane?
The IUPAC name of benzyl dihydrogen phosphate;ethoxyethane (CID 67119526) is benzyl dihydrogen phosphate;ethoxyethane.
What is the SMILES notation for benzyl dihydrogen phosphate;ethoxyethane?
The canonical SMILES for benzyl dihydrogen phosphate;ethoxyethane is CCOCC.O=P(O)(O)OCc1ccccc1.
What is the InChIKey of benzyl dihydrogen phosphate;ethoxyethane?
The InChIKey is JXCDLPAKOPSDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9O4P.C4H10O/c8-12(9,10)11-6-7-4-2-1-3-5-7;1-3-5-4-2/h1-5H,6H2,(H2,8,9,10);3-4H2,1-2H3.
What are the key properties of benzyl dihydrogen phosphate;ethoxyethane?
benzyl dihydrogen phosphate;ethoxyethane has a molecular weight of 262.24 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl dihydrogen phosphate;ethoxyethane is sourced from PubChem (CID 67119526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).