methyl (2-phenylphenyl) hydrogen phosphate

C13H13O4P — CID 142726316

IUPACmethyl (2-phenylphenyl) hydrogen phosphate
SMILESCOP(=O)(O)Oc1ccccc1-c1ccccc1
InChIInChI=1S/C13H13O4P/c1-16-18(14,15)17-13-10-6-5-9-12(13)11-7-3-2-4-8-11/h2-10H,1H3,(H,14,15)
InChIKeyLPLIEUWJKBMHHU-UHFFFAOYSA-N
MW264.22 g/mol
LogP3.48
Rot. Bonds4

About methyl (2-phenylphenyl) hydrogen phosphate

methyl (2-phenylphenyl) hydrogen phosphate (PubChem CID 142726316) has the molecular formula C13H13O4P and a molecular weight of 264.22 g/mol. Its IUPAC name is methyl (2-phenylphenyl) hydrogen phosphate.

Molecular Properties

Compound Namemethyl (2-phenylphenyl) hydrogen phosphate
PubChem CID142726316
Molecular FormulaC13H13O4P
Molecular Weight264.22 g/mol
Exact Mass264.06
IUPAC Namemethyl (2-phenylphenyl) hydrogen phosphate
SMILESCOP(=O)(O)Oc1ccccc1-c1ccccc1
InChIInChI=1S/C13H13O4P/c1-16-18(14,15)17-13-10-6-5-9-12(13)11-7-3-2-4-8-11/h2-10H,1H3,(H,14,15)
InChIKeyLPLIEUWJKBMHHU-UHFFFAOYSA-N
XLogP3.48
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (2-phenylphenyl) hydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phenyl (2-phenylphenyl) hydrogen phosphate
CID 21401890
(2-phenylphenyl) dihydrogen phosphate
CID 19371408
ethoxyethane;(2-phenylphenyl) dihydrogen phosphate
CID 67681230
1-[chloro-(2-phenylphenoxy)phosphoryl]oxy-2-phenylbenzene
CID 21469895
methyl (2-nitrophenyl) hydrogen phosphate
CID 131852175
(2-phenylphenyl) dimethylphosphorylformate
CID 122645320
phenyl (2-phenylphenyl) phosphate
CID 22709121
bis(2-chloro-6-phenylphenyl) hydrogen phosphate
CID 154298081
[2-(6-iodo-4-oxo-3H-quinazolin-2-yl)phenyl] methyl hydrogen phosphate
CID 135978113
[2-[1,1-bis(2-phenylphenyl)ethyl]phenyl] dihydrogen phosphate
CID 68740859
2-(2-phenylphenoxy)-N-propylacetamide
CID 112788813
1-methyl-2-phenylbenzene;phosphoric acid
CID 159087333

Frequently Asked Questions

What is the IUPAC name of methyl (2-phenylphenyl) hydrogen phosphate?
The IUPAC name of methyl (2-phenylphenyl) hydrogen phosphate (CID 142726316) is methyl (2-phenylphenyl) hydrogen phosphate.
What is the SMILES notation for methyl (2-phenylphenyl) hydrogen phosphate?
The canonical SMILES for methyl (2-phenylphenyl) hydrogen phosphate is COP(=O)(O)Oc1ccccc1-c1ccccc1.
What is the InChIKey of methyl (2-phenylphenyl) hydrogen phosphate?
The InChIKey is LPLIEUWJKBMHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13O4P/c1-16-18(14,15)17-13-10-6-5-9-12(13)11-7-3-2-4-8-11/h2-10H,1H3,(H,14,15).
What are the key properties of methyl (2-phenylphenyl) hydrogen phosphate?
methyl (2-phenylphenyl) hydrogen phosphate has a molecular weight of 264.22 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2-phenylphenyl) hydrogen phosphate is sourced from PubChem (CID 142726316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).