cyclohexyl diphenyl phosphate

C18H21O4P — CID 3034145

IUPACcyclohexyl diphenyl phosphate
SMILESO=P(Oc1ccccc1)(Oc1ccccc1)OC1CCCCC1
InChIInChI=1S/C18H21O4P/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/h1-2,4-7,10-13,18H,3,8-9,14-15H2
InChIKeyCPKKNIYMTSBFIQ-UHFFFAOYSA-N
MW332.34 g/mol
LogP5.60
Rot. Bonds6

About cyclohexyl diphenyl phosphate

cyclohexyl diphenyl phosphate (PubChem CID 3034145) has the molecular formula C18H21O4P and a molecular weight of 332.34 g/mol. Its IUPAC name is cyclohexyl diphenyl phosphate.

Molecular Properties

Compound Namecyclohexyl diphenyl phosphate
PubChem CID3034145
Molecular FormulaC18H21O4P
Molecular Weight332.34 g/mol
Exact Mass332.12
IUPAC Namecyclohexyl diphenyl phosphate
SMILESO=P(Oc1ccccc1)(Oc1ccccc1)OC1CCCCC1
InChIInChI=1S/C18H21O4P/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/h1-2,4-7,10-13,18H,3,8-9,14-15H2
InChIKeyCPKKNIYMTSBFIQ-UHFFFAOYSA-N
XLogP5.60
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.34
LogP ≤ 55.60
H-Bond Donors ≤ 50
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 cyclohexyl diphenyl phosphate?
The IUPAC name of cyclohexyl diphenyl phosphate (CID 3034145) is cyclohexyl diphenyl phosphate.
What is the SMILES notation for cyclohexyl diphenyl phosphate?
The canonical SMILES for cyclohexyl diphenyl phosphate is O=P(Oc1ccccc1)(Oc1ccccc1)OC1CCCCC1.
What is the InChIKey of cyclohexyl diphenyl phosphate?
The InChIKey is CPKKNIYMTSBFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21O4P/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/h1-2,4-7,10-13,18H,3,8-9,14-15H2.
What are the key properties of cyclohexyl diphenyl phosphate?
cyclohexyl diphenyl phosphate has a molecular weight of 332.34 g/mol, XLogP of 5.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl diphenyl phosphate is sourced from PubChem (CID 3034145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).