triphenyl phosphate;hydrate

C18H17O5P — CID 66881958

IUPACtriphenyl phosphate;hydrate
SMILESO.O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C18H15O4P.H2O/c19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18;/h1-15H;1H2
InChIKeyOPNZLMSKGAKODV-UHFFFAOYSA-N
MW344.30 g/mol
LogP4.51
Rot. Bonds6

About triphenyl phosphate;hydrate

triphenyl phosphate;hydrate (PubChem CID 66881958) has the molecular formula C18H17O5P and a molecular weight of 344.30 g/mol. Its IUPAC name is triphenyl phosphate;hydrate.

Molecular Properties

Compound Nametriphenyl phosphate;hydrate
PubChem CID66881958
Molecular FormulaC18H17O5P
Molecular Weight344.30 g/mol
Exact Mass344.08
IUPAC Nametriphenyl phosphate;hydrate
SMILESO.O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C18H15O4P.H2O/c19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18;/h1-15H;1H2
InChIKeyOPNZLMSKGAKODV-UHFFFAOYSA-N
XLogP4.51
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
tris(4-phenoxyphenyl) phosphate
CID 70576220
2-methylpropane;triphenyl phosphate
CID 91193965
chloro diphenyl phosphate;hydrate
CID 70610879
CID 175741196
CID 175741196
diphenyl silyl phosphate
CID 71371486
(4-diphenoxyphosphanyloxyphenyl) diphenyl phosphate
CID 126496961
diphenyl hydrogen phosphate;dihydrate
CID 21115845
dimethyl phenyl phosphate;ethane;trimethyl phosphate
CID 90867053
diphenoxyphosphoryl diphenyl phosphate;propane
CID 162105616
bis(2-bromophenyl) phenyl phosphate
CID 154206613
(3-fluorophenyl) diphenyl phosphate
CID 154131589

Frequently Asked Questions

What is the IUPAC name of triphenyl phosphate;hydrate?
The IUPAC name of triphenyl phosphate;hydrate (CID 66881958) is triphenyl phosphate;hydrate.
What is the SMILES notation for triphenyl phosphate;hydrate?
The canonical SMILES for triphenyl phosphate;hydrate is O.O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of triphenyl phosphate;hydrate?
The InChIKey is OPNZLMSKGAKODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15O4P.H2O/c19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18;/h1-15H;1H2.
What are the key properties of triphenyl phosphate;hydrate?
triphenyl phosphate;hydrate has a molecular weight of 344.30 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl phosphate;hydrate is sourced from PubChem (CID 66881958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).