diethyl (2-hydroxyphenyl)methyl phosphate

C11H17O5P — CID 174892614

IUPACdiethyl (2-hydroxyphenyl)methyl phosphate
SMILESCCOP(=O)(OCC)OCc1ccccc1O
InChIInChI=1S/C11H17O5P/c1-3-14-17(13,15-4-2)16-9-10-7-5-6-8-11(10)12/h5-8,12H,3-4,9H2,1-2H3
InChIKeyBTRVIHWRWOSPFC-UHFFFAOYSA-N
MW260.23 g/mol
LogP3.09
Rot. Bonds7

About diethyl (2-hydroxyphenyl)methyl phosphate

diethyl (2-hydroxyphenyl)methyl phosphate (PubChem CID 174892614) has the molecular formula C11H17O5P and a molecular weight of 260.23 g/mol. Its IUPAC name is diethyl (2-hydroxyphenyl)methyl phosphate.

Molecular Properties

Compound Namediethyl (2-hydroxyphenyl)methyl phosphate
PubChem CID174892614
Molecular FormulaC11H17O5P
Molecular Weight260.23 g/mol
Exact Mass260.08
IUPAC Namediethyl (2-hydroxyphenyl)methyl phosphate
SMILESCCOP(=O)(OCC)OCc1ccccc1O
InChIInChI=1S/C11H17O5P/c1-3-14-17(13,15-4-2)16-9-10-7-5-6-8-11(10)12/h5-8,12H,3-4,9H2,1-2H3
InChIKeyBTRVIHWRWOSPFC-UHFFFAOYSA-N
XLogP3.09
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.23
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyl (2-hydroxyphenyl)methyl phosphate?
The IUPAC name of diethyl (2-hydroxyphenyl)methyl phosphate (CID 174892614) is diethyl (2-hydroxyphenyl)methyl phosphate.
What is the SMILES notation for diethyl (2-hydroxyphenyl)methyl phosphate?
The canonical SMILES for diethyl (2-hydroxyphenyl)methyl phosphate is CCOP(=O)(OCC)OCc1ccccc1O.
What is the InChIKey of diethyl (2-hydroxyphenyl)methyl phosphate?
The InChIKey is BTRVIHWRWOSPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17O5P/c1-3-14-17(13,15-4-2)16-9-10-7-5-6-8-11(10)12/h5-8,12H,3-4,9H2,1-2H3.
What are the key properties of diethyl (2-hydroxyphenyl)methyl phosphate?
diethyl (2-hydroxyphenyl)methyl phosphate has a molecular weight of 260.23 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (2-hydroxyphenyl)methyl phosphate is sourced from PubChem (CID 174892614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).