2-phenylethylbenzene;phosphono dihydrogen phosphate

C14H18O7P2 — CID 174463104

IUPAC2-phenylethylbenzene;phosphono dihydrogen phosphate
SMILESO=P(O)(O)OP(=O)(O)O.c1ccc(CCc2ccccc2)cc1
InChIInChI=1S/C14H14.H4O7P2/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-8(2,3)7-9(4,5)6/h1-10H,11-12H2;(H2,1,2,3)(H2,4,5,6)
InChIKeyBBMXWXAXJRUCOB-UHFFFAOYSA-N
MW360.24 g/mol
LogP2.66
Rot. Bonds5

About 2-phenylethylbenzene;phosphono dihydrogen phosphate

2-phenylethylbenzene;phosphono dihydrogen phosphate (PubChem CID 174463104) has the molecular formula C14H18O7P2 and a molecular weight of 360.24 g/mol. Its IUPAC name is 2-phenylethylbenzene;phosphono dihydrogen phosphate.

Molecular Properties

Compound Name2-phenylethylbenzene;phosphono dihydrogen phosphate
PubChem CID174463104
Molecular FormulaC14H18O7P2
Molecular Weight360.24 g/mol
Exact Mass360.05
IUPAC Name2-phenylethylbenzene;phosphono dihydrogen phosphate
SMILESO=P(O)(O)OP(=O)(O)O.c1ccc(CCc2ccccc2)cc1
InChIInChI=1S/C14H14.H4O7P2/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-8(2,3)7-9(4,5)6/h1-10H,11-12H2;(H2,1,2,3)(H2,4,5,6)
InChIKeyBBMXWXAXJRUCOB-UHFFFAOYSA-N
XLogP2.66
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 52.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzene;2-phenylethylbenzene
CID 18982764
[benzylimino(dihydroxy)-λ5-phosphanyl] dihydrogen phosphate
CID 87475279
phosphono 3-phenylpropanoate
CID 57243225
12-phenyldodecyl dihydrogen phosphate
CID 70388670
hafnium;2-phenylethylbenzene
CID 173109801
benzylbenzene;phosphoric acid
CID 161249494
phenylmethoxymethylbenzene;phosphoric acid
CID 141118417
2-phenylethyl(phenylmethoxy)phosphinic acid
CID 54325821
[hydroxy(2-phenylethyl)phosphoryl]formic acid
CID 69405500
bis(phenylsulfanyl)phosphoryl dihydrogen phosphate
CID 87474292
benzyl phenyl phosphono phosphate
CID 150753839
alumane;2-phenylethylbenzene;hydrobromide
CID 173446278

Frequently Asked Questions

What is the IUPAC name of 2-phenylethylbenzene;phosphono dihydrogen phosphate?
The IUPAC name of 2-phenylethylbenzene;phosphono dihydrogen phosphate (CID 174463104) is 2-phenylethylbenzene;phosphono dihydrogen phosphate.
What is the SMILES notation for 2-phenylethylbenzene;phosphono dihydrogen phosphate?
The canonical SMILES for 2-phenylethylbenzene;phosphono dihydrogen phosphate is O=P(O)(O)OP(=O)(O)O.c1ccc(CCc2ccccc2)cc1.
What is the InChIKey of 2-phenylethylbenzene;phosphono dihydrogen phosphate?
The InChIKey is BBMXWXAXJRUCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14.H4O7P2/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-8(2,3)7-9(4,5)6/h1-10H,11-12H2;(H2,1,2,3)(H2,4,5,6).
What are the key properties of 2-phenylethylbenzene;phosphono dihydrogen phosphate?
2-phenylethylbenzene;phosphono dihydrogen phosphate has a molecular weight of 360.24 g/mol, XLogP of 2.66, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethylbenzene;phosphono dihydrogen phosphate is sourced from PubChem (CID 174463104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).