dibenzyl [3-(1-phenylcyclohexyl)phenyl] phosphate

C32H33O4P — CID 16734779

IUPACdibenzyl [3-(1-phenylcyclohexyl)phenyl] phosphate
SMILESO=P(OCc1ccccc1)(OCc1ccccc1)Oc1cccc(C2(c3ccccc3)CCCCC2)c1
InChIInChI=1S/C32H33O4P/c33-37(34-25-27-14-5-1-6-15-27,35-26-28-16-7-2-8-17-28)36-31-21-13-20-30(24-31)32(22-11-4-12-23-32)29-18-9-3-10-19-29/h1-3,5-10,13-21,24H,4,11-12,22-23,25-26H2
InChIKeyQCTGNSPLKCFYHW-UHFFFAOYSA-N
MW512.59 g/mol
LogP8.86
Rot. Bonds10

About dibenzyl [3-(1-phenylcyclohexyl)phenyl] phosphate

dibenzyl [3-(1-phenylcyclohexyl)phenyl] phosphate (PubChem CID 16734779) has the molecular formula C32H33O4P and a molecular weight of 512.59 g/mol. Its IUPAC name is dibenzyl [3-(1-phenylcyclohexyl)phenyl] phosphate.

Molecular Properties

Compound Namedibenzyl [3-(1-phenylcyclohexyl)phenyl] phosphate
PubChem CID16734779
Molecular FormulaC32H33O4P
Molecular Weight512.59 g/mol
Exact Mass512.21
IUPAC Namedibenzyl [3-(1-phenylcyclohexyl)phenyl] phosphate
SMILESO=P(OCc1ccccc1)(OCc1ccccc1)Oc1cccc(C2(c3ccccc3)CCCCC2)c1
InChIInChI=1S/C32H33O4P/c33-37(34-25-27-14-5-1-6-15-27,35-26-28-16-7-2-8-17-28)36-31-21-13-20-30(24-31)32(22-11-4-12-23-32)29-18-9-3-10-19-29/h1-3,5-10,13-21,24H,4,11-12,22-23,25-26H2
InChIKeyQCTGNSPLKCFYHW-UHFFFAOYSA-N
XLogP8.86
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.59
LogP ≤ 58.86
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

dibenzyl [3-bis(phenylmethoxy)phosphoryloxy-4-cyclohexylphenyl] phosphate
CID 86682691
dibenzyl [4-(1-phenylcyclohexyl)phenyl] phosphate;[4-(1-phenylcyclohexyl)phenyl] dihydrogen phosphate;[4-(1-phenylcyclohexyl)phenyl] 2,2-dimethylpropanoate;[4-(1-phenylcyclohexyl)phenyl] N,N-dimethylsulfamate
CID 159452585
1,1-diphenylcyclotetradecane
CID 175822005
[4-(1-phenylcyclohexyl)phenyl] dihydrogen phosphate
CID 16734689
benzyl phenyl phosphono phosphate
CID 150753839
benzyl bis(2-phenoxyethyl) phosphate
CID 159104458
1-ethyl-3-(1-phenylcyclopropyl)benzene
CID 142848757
1-[[3-[1-[3-(1-aminoethoxy)phenyl]cyclohexyl]phenyl]methoxy]ethanamine
CID 170389273
[1-(3-phenylmethoxyphenyl)cyclopentyl]methanamine
CID 117451817
[4-bis(phenylmethoxy)phosphoryloxyphenyl] acetate
CID 163952948
4-[1-benzyl-3-(3-methoxyphenyl)piperidin-3-yl]-N,N-diethylbenzamide
CID 12968707
dibenzyl [2-[3-bis(phenylmethoxy)phosphoryloxyphenyl]-6-pyrrolidin-1-ylquinolin-4-yl] phosphate
CID 58052628

Frequently Asked Questions

What is the IUPAC name of dibenzyl [3-(1-phenylcyclohexyl)phenyl] phosphate?
The IUPAC name of dibenzyl [3-(1-phenylcyclohexyl)phenyl] phosphate (CID 16734779) is dibenzyl [3-(1-phenylcyclohexyl)phenyl] phosphate.
What is the SMILES notation for dibenzyl [3-(1-phenylcyclohexyl)phenyl] phosphate?
The canonical SMILES for dibenzyl [3-(1-phenylcyclohexyl)phenyl] phosphate is O=P(OCc1ccccc1)(OCc1ccccc1)Oc1cccc(C2(c3ccccc3)CCCCC2)c1.
What is the InChIKey of dibenzyl [3-(1-phenylcyclohexyl)phenyl] phosphate?
The InChIKey is QCTGNSPLKCFYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33O4P/c33-37(34-25-27-14-5-1-6-15-27,35-26-28-16-7-2-8-17-28)36-31-21-13-20-30(24-31)32(22-11-4-12-23-32)29-18-9-3-10-19-29/h1-3,5-10,13-21,24H,4,11-12,22-23,25-26H2.
What are the key properties of dibenzyl [3-(1-phenylcyclohexyl)phenyl] phosphate?
dibenzyl [3-(1-phenylcyclohexyl)phenyl] phosphate has a molecular weight of 512.59 g/mol, XLogP of 8.86, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl [3-(1-phenylcyclohexyl)phenyl] phosphate is sourced from PubChem (CID 16734779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).