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

C26H33O3P — CID 87154908

IUPAC1-cyclohexyl-2-[(2-cyclohexylphenoxy)-ethenylphosphoryl]oxybenzene
SMILESC=CP(=O)(Oc1ccccc1C1CCCCC1)Oc1ccccc1C1CCCCC1
InChIInChI=1S/C26H33O3P/c1-2-30(27,28-25-19-11-9-17-23(25)21-13-5-3-6-14-21)29-26-20-12-10-18-24(26)22-15-7-4-8-16-22/h2,9-12,17-22H,1,3-8,13-16H2
InChIKeyNUXDPKOBTMPEDZ-UHFFFAOYSA-N
MW424.52 g/mol
LogP8.58
Rot. Bonds7

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

1-cyclohexyl-2-[(2-cyclohexylphenoxy)-ethenylphosphoryl]oxybenzene (PubChem CID 87154908) has the molecular formula C26H33O3P and a molecular weight of 424.52 g/mol. Its IUPAC name is 1-cyclohexyl-2-[(2-cyclohexylphenoxy)-ethenylphosphoryl]oxybenzene.

Molecular Properties

Compound Name1-cyclohexyl-2-[(2-cyclohexylphenoxy)-ethenylphosphoryl]oxybenzene
PubChem CID87154908
Molecular FormulaC26H33O3P
Molecular Weight424.52 g/mol
Exact Mass424.22
IUPAC Name1-cyclohexyl-2-[(2-cyclohexylphenoxy)-ethenylphosphoryl]oxybenzene
SMILESC=CP(=O)(Oc1ccccc1C1CCCCC1)Oc1ccccc1C1CCCCC1
InChIInChI=1S/C26H33O3P/c1-2-30(27,28-25-19-11-9-17-23(25)21-13-5-3-6-14-21)29-26-20-12-10-18-24(26)22-15-7-4-8-16-22/h2,9-12,17-22H,1,3-8,13-16H2
InChIKeyNUXDPKOBTMPEDZ-UHFFFAOYSA-N
XLogP8.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.52
LogP ≤ 58.58
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)-ethenylphosphoryl]oxybenzene?
The IUPAC name of 1-cyclohexyl-2-[(2-cyclohexylphenoxy)-ethenylphosphoryl]oxybenzene (CID 87154908) is 1-cyclohexyl-2-[(2-cyclohexylphenoxy)-ethenylphosphoryl]oxybenzene.
What is the SMILES notation for 1-cyclohexyl-2-[(2-cyclohexylphenoxy)-ethenylphosphoryl]oxybenzene?
The canonical SMILES for 1-cyclohexyl-2-[(2-cyclohexylphenoxy)-ethenylphosphoryl]oxybenzene is C=CP(=O)(Oc1ccccc1C1CCCCC1)Oc1ccccc1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[(2-cyclohexylphenoxy)-ethenylphosphoryl]oxybenzene?
The InChIKey is NUXDPKOBTMPEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33O3P/c1-2-30(27,28-25-19-11-9-17-23(25)21-13-5-3-6-14-21)29-26-20-12-10-18-24(26)22-15-7-4-8-16-22/h2,9-12,17-22H,1,3-8,13-16H2.
What are the key properties of 1-cyclohexyl-2-[(2-cyclohexylphenoxy)-ethenylphosphoryl]oxybenzene?
1-cyclohexyl-2-[(2-cyclohexylphenoxy)-ethenylphosphoryl]oxybenzene has a molecular weight of 424.52 g/mol, XLogP of 8.58, 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)-ethenylphosphoryl]oxybenzene is sourced from PubChem (CID 87154908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).