methane;phenyl phosphono hydrogen phosphate

C7H12O7P2 — CID 88820079

IUPACmethane;phenyl phosphono hydrogen phosphate
SMILESC.O=P(O)(O)OP(=O)(O)Oc1ccccc1
InChIInChI=1S/C6H8O7P2.CH4/c7-14(8,9)13-15(10,11)12-6-4-2-1-3-5-6;/h1-5H,(H,10,11)(H2,7,8,9);1H4
InChIKeyZOCGTOCXBSLSAV-UHFFFAOYSA-N
MW270.11 g/mol
LogP1.91
Rot. Bonds4

About methane;phenyl phosphono hydrogen phosphate

methane;phenyl phosphono hydrogen phosphate (PubChem CID 88820079) has the molecular formula C7H12O7P2 and a molecular weight of 270.11 g/mol. Its IUPAC name is methane;phenyl phosphono hydrogen phosphate.

Molecular Properties

Compound Namemethane;phenyl phosphono hydrogen phosphate
PubChem CID88820079
Molecular FormulaC7H12O7P2
Molecular Weight270.11 g/mol
Exact Mass270.01
IUPAC Namemethane;phenyl phosphono hydrogen phosphate
SMILESC.O=P(O)(O)OP(=O)(O)Oc1ccccc1
InChIInChI=1S/C6H8O7P2.CH4/c7-14(8,9)13-15(10,11)12-6-4-2-1-3-5-6;/h1-5H,(H,10,11)(H2,7,8,9);1H4
InChIKeyZOCGTOCXBSLSAV-UHFFFAOYSA-N
XLogP1.91
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.11
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[hydroxy(phosphonooxy)phosphoryl]oxyphenyl] phosphono hydrogen phosphate
CID 87621528
diphenyl hydrogen phosphate;dihydrate
CID 21115845
tris(diphenyl hydrogen phosphate);phosphane
CID 172751224
diphenyl hydrogen phosphate;silane
CID 175425543
hydroxy phenyl hydrogen phosphate
CID 19103302
[4-(4-hydroxy-2,3,5,6-tetraphenylphenyl)phenyl] phosphono hydrogen phosphate
CID 87386590
CID 131875092
CID 131875092
chloroform;diphenyl hydrogen phosphate
CID 174899919
nitro phenyl hydrogen phosphate;dihydrochloride
CID 67892340
phenoxy phenyl hydrogen phosphate
CID 172853202
dichloromethane;diphenyl hydrogen phosphate;hydrochloride
CID 174445960
[(4-aminophenoxy)-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 151189482

Frequently Asked Questions

What is the IUPAC name of methane;phenyl phosphono hydrogen phosphate?
The IUPAC name of methane;phenyl phosphono hydrogen phosphate (CID 88820079) is methane;phenyl phosphono hydrogen phosphate.
What is the SMILES notation for methane;phenyl phosphono hydrogen phosphate?
The canonical SMILES for methane;phenyl phosphono hydrogen phosphate is C.O=P(O)(O)OP(=O)(O)Oc1ccccc1.
What is the InChIKey of methane;phenyl phosphono hydrogen phosphate?
The InChIKey is ZOCGTOCXBSLSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7P2.CH4/c7-14(8,9)13-15(10,11)12-6-4-2-1-3-5-6;/h1-5H,(H,10,11)(H2,7,8,9);1H4.
What are the key properties of methane;phenyl phosphono hydrogen phosphate?
methane;phenyl phosphono hydrogen phosphate has a molecular weight of 270.11 g/mol, XLogP of 1.91, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;phenyl phosphono hydrogen phosphate is sourced from PubChem (CID 88820079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).