1-cyclohexyl-2-[(2-cyclohexylphenoxy)-phenylphosphoryl]oxybenzene

C30H35O3P — CID 87156210

IUPAC1-cyclohexyl-2-[(2-cyclohexylphenoxy)-phenylphosphoryl]oxybenzene
SMILESO=P(Oc1ccccc1C1CCCCC1)(Oc1ccccc1C1CCCCC1)c1ccccc1
InChIInChI=1S/C30H35O3P/c31-34(26-18-8-3-9-19-26,32-29-22-12-10-20-27(29)24-14-4-1-5-15-24)33-30-23-13-11-21-28(30)25-16-6-2-7-17-25/h3,8-13,18-25H,1-2,4-7,14-17H2
InChIKeyXHBWAFOUALRKBA-UHFFFAOYSA-N
MW474.58 g/mol
LogP8.76
Rot. Bonds7

About 1-cyclohexyl-2-[(2-cyclohexylphenoxy)-phenylphosphoryl]oxybenzene

1-cyclohexyl-2-[(2-cyclohexylphenoxy)-phenylphosphoryl]oxybenzene (PubChem CID 87156210) has the molecular formula C30H35O3P and a molecular weight of 474.58 g/mol. Its IUPAC name is 1-cyclohexyl-2-[(2-cyclohexylphenoxy)-phenylphosphoryl]oxybenzene.

Molecular Properties

Compound Name1-cyclohexyl-2-[(2-cyclohexylphenoxy)-phenylphosphoryl]oxybenzene
PubChem CID87156210
Molecular FormulaC30H35O3P
Molecular Weight474.58 g/mol
Exact Mass474.23
IUPAC Name1-cyclohexyl-2-[(2-cyclohexylphenoxy)-phenylphosphoryl]oxybenzene
SMILESO=P(Oc1ccccc1C1CCCCC1)(Oc1ccccc1C1CCCCC1)c1ccccc1
InChIInChI=1S/C30H35O3P/c31-34(26-18-8-3-9-19-26,32-29-22-12-10-20-27(29)24-14-4-1-5-15-24)33-30-23-13-11-21-28(30)25-16-6-2-7-17-25/h3,8-13,18-25H,1-2,4-7,14-17H2
InChIKeyXHBWAFOUALRKBA-UHFFFAOYSA-N
XLogP8.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.58
LogP ≤ 58.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[(2-cyclohexylphenoxy)-phenylphosphoryl]oxybenzene?
The IUPAC name of 1-cyclohexyl-2-[(2-cyclohexylphenoxy)-phenylphosphoryl]oxybenzene (CID 87156210) is 1-cyclohexyl-2-[(2-cyclohexylphenoxy)-phenylphosphoryl]oxybenzene.
What is the SMILES notation for 1-cyclohexyl-2-[(2-cyclohexylphenoxy)-phenylphosphoryl]oxybenzene?
The canonical SMILES for 1-cyclohexyl-2-[(2-cyclohexylphenoxy)-phenylphosphoryl]oxybenzene is O=P(Oc1ccccc1C1CCCCC1)(Oc1ccccc1C1CCCCC1)c1ccccc1.
What is the InChIKey of 1-cyclohexyl-2-[(2-cyclohexylphenoxy)-phenylphosphoryl]oxybenzene?
The InChIKey is XHBWAFOUALRKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35O3P/c31-34(26-18-8-3-9-19-26,32-29-22-12-10-20-27(29)24-14-4-1-5-15-24)33-30-23-13-11-21-28(30)25-16-6-2-7-17-25/h3,8-13,18-25H,1-2,4-7,14-17H2.
What are the key properties of 1-cyclohexyl-2-[(2-cyclohexylphenoxy)-phenylphosphoryl]oxybenzene?
1-cyclohexyl-2-[(2-cyclohexylphenoxy)-phenylphosphoryl]oxybenzene has a molecular weight of 474.58 g/mol, XLogP of 8.76, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[(2-cyclohexylphenoxy)-phenylphosphoryl]oxybenzene is sourced from PubChem (CID 87156210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).