[(2,2-dimethyl-1,3-dioxolan-4-yl)-diphenylmethyl] dihydrogen phosphate

C18H21O6P — CID 175299267

IUPAC[(2,2-dimethyl-1,3-dioxolan-4-yl)-diphenylmethyl] dihydrogen phosphate
SMILESCC1(C)OCC(C(OP(=O)(O)O)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C18H21O6P/c1-17(2)22-13-16(23-17)18(24-25(19,20)21,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3,(H2,19,20,21)
InChIKeyDSGRZKACKAOLCS-UHFFFAOYSA-N
MW364.33 g/mol
LogP3.19
Rot. Bonds5

About [(2,2-dimethyl-1,3-dioxolan-4-yl)-diphenylmethyl] dihydrogen phosphate

[(2,2-dimethyl-1,3-dioxolan-4-yl)-diphenylmethyl] dihydrogen phosphate (PubChem CID 175299267) has the molecular formula C18H21O6P and a molecular weight of 364.33 g/mol. Its IUPAC name is [(2,2-dimethyl-1,3-dioxolan-4-yl)-diphenylmethyl] dihydrogen phosphate.

Molecular Properties

Compound Name[(2,2-dimethyl-1,3-dioxolan-4-yl)-diphenylmethyl] dihydrogen phosphate
PubChem CID175299267
Molecular FormulaC18H21O6P
Molecular Weight364.33 g/mol
Exact Mass364.11
IUPAC Name[(2,2-dimethyl-1,3-dioxolan-4-yl)-diphenylmethyl] dihydrogen phosphate
SMILESCC1(C)OCC(C(OP(=O)(O)O)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C18H21O6P/c1-17(2)22-13-16(23-17)18(24-25(19,20)21,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3,(H2,19,20,21)
InChIKeyDSGRZKACKAOLCS-UHFFFAOYSA-N
XLogP3.19
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2,2-dimethyl-1,3-dioxolan-4-yl)-diphenylmethyl] dihydrogen phosphate?
The IUPAC name of [(2,2-dimethyl-1,3-dioxolan-4-yl)-diphenylmethyl] dihydrogen phosphate (CID 175299267) is [(2,2-dimethyl-1,3-dioxolan-4-yl)-diphenylmethyl] dihydrogen phosphate.
What is the SMILES notation for [(2,2-dimethyl-1,3-dioxolan-4-yl)-diphenylmethyl] dihydrogen phosphate?
The canonical SMILES for [(2,2-dimethyl-1,3-dioxolan-4-yl)-diphenylmethyl] dihydrogen phosphate is CC1(C)OCC(C(OP(=O)(O)O)(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of [(2,2-dimethyl-1,3-dioxolan-4-yl)-diphenylmethyl] dihydrogen phosphate?
The InChIKey is DSGRZKACKAOLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21O6P/c1-17(2)22-13-16(23-17)18(24-25(19,20)21,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3,(H2,19,20,21).
What are the key properties of [(2,2-dimethyl-1,3-dioxolan-4-yl)-diphenylmethyl] dihydrogen phosphate?
[(2,2-dimethyl-1,3-dioxolan-4-yl)-diphenylmethyl] dihydrogen phosphate has a molecular weight of 364.33 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,2-dimethyl-1,3-dioxolan-4-yl)-diphenylmethyl] dihydrogen phosphate is sourced from PubChem (CID 175299267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).