benzyl tert-butyl hydrogen phosphate

C11H17O4P — CID 140989025

IUPACbenzyl tert-butyl hydrogen phosphate
SMILESCC(C)(C)OP(=O)(O)OCc1ccccc1
InChIInChI=1S/C11H17O4P/c1-11(2,3)15-16(12,13)14-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,12,13)
InChIKeyASBLACUUHPSMSN-UHFFFAOYSA-N
MW244.23 g/mol
LogP3.12
Rot. Bonds4

About benzyl tert-butyl hydrogen phosphate

benzyl tert-butyl hydrogen phosphate (PubChem CID 140989025) has the molecular formula C11H17O4P and a molecular weight of 244.23 g/mol. Its IUPAC name is benzyl tert-butyl hydrogen phosphate.

Molecular Properties

Compound Namebenzyl tert-butyl hydrogen phosphate
PubChem CID140989025
Molecular FormulaC11H17O4P
Molecular Weight244.23 g/mol
Exact Mass244.09
IUPAC Namebenzyl tert-butyl hydrogen phosphate
SMILESCC(C)(C)OP(=O)(O)OCc1ccccc1
InChIInChI=1S/C11H17O4P/c1-11(2,3)15-16(12,13)14-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,12,13)
InChIKeyASBLACUUHPSMSN-UHFFFAOYSA-N
XLogP3.12
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 23002023
bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl 2-phenylmethoxyacetate
CID 168835403
dibenzyl hydrogen phosphate;dibenzyl phosphate;bis(tetramethylazanium);hydroxide
CID 160798114
[hydroxy(phenylmethoxy)phosphoryl]phosphonic acid
CID 87473581
2-phenylethyl(phenylmethoxy)phosphinic acid
CID 54325821
benzyl 7-methyloctyl hydrogen phosphate
CID 19374043
benzyl dihydrogen phosphate;ethoxyethane
CID 67119526
chloro(iodo)methane;dibenzyl chloromethyl phosphate;dibenzyl hydrogen phosphate;silver
CID 158261759
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CID 174524131

Frequently Asked Questions

What is the IUPAC name of benzyl tert-butyl hydrogen phosphate?
The IUPAC name of benzyl tert-butyl hydrogen phosphate (CID 140989025) is benzyl tert-butyl hydrogen phosphate.
What is the SMILES notation for benzyl tert-butyl hydrogen phosphate?
The canonical SMILES for benzyl tert-butyl hydrogen phosphate is CC(C)(C)OP(=O)(O)OCc1ccccc1.
What is the InChIKey of benzyl tert-butyl hydrogen phosphate?
The InChIKey is ASBLACUUHPSMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17O4P/c1-11(2,3)15-16(12,13)14-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,12,13).
What are the key properties of benzyl tert-butyl hydrogen phosphate?
benzyl tert-butyl hydrogen phosphate has a molecular weight of 244.23 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl tert-butyl hydrogen phosphate is sourced from PubChem (CID 140989025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).