[[(1R)-1-cyclohexylethoxy]-phenylphosphoryl]benzene

C20H25O2P — CID 102079249

IUPAC[[(1R)-1-cyclohexylethoxy]-phenylphosphoryl]benzene
SMILESC[C@@H](OP(=O)(c1ccccc1)c1ccccc1)C1CCCCC1
InChIInChI=1S/C20H25O2P/c1-17(18-11-5-2-6-12-18)22-23(21,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h3-4,7-10,13-18H,2,5-6,11-12H2,1H3/t17-/m1/s1
InChIKeyVPICAEYQFFCRQM-QGZVFWFLSA-N
MW328.39 g/mol
LogP4.90
Rot. Bonds5

About [[(1R)-1-cyclohexylethoxy]-phenylphosphoryl]benzene

[[(1R)-1-cyclohexylethoxy]-phenylphosphoryl]benzene (PubChem CID 102079249) has the molecular formula C20H25O2P and a molecular weight of 328.39 g/mol. Its IUPAC name is [[(1R)-1-cyclohexylethoxy]-phenylphosphoryl]benzene.

Molecular Properties

Compound Name[[(1R)-1-cyclohexylethoxy]-phenylphosphoryl]benzene
PubChem CID102079249
Molecular FormulaC20H25O2P
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name[[(1R)-1-cyclohexylethoxy]-phenylphosphoryl]benzene
SMILESC[C@@H](OP(=O)(c1ccccc1)c1ccccc1)C1CCCCC1
InChIInChI=1S/C20H25O2P/c1-17(18-11-5-2-6-12-18)22-23(21,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h3-4,7-10,13-18H,2,5-6,11-12H2,1H3/t17-/m1/s1
InChIKeyVPICAEYQFFCRQM-QGZVFWFLSA-N
XLogP4.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [[(1R)-1-cyclohexylethoxy]-phenylphosphoryl]benzene?
The IUPAC name of [[(1R)-1-cyclohexylethoxy]-phenylphosphoryl]benzene (CID 102079249) is [[(1R)-1-cyclohexylethoxy]-phenylphosphoryl]benzene.
What is the SMILES notation for [[(1R)-1-cyclohexylethoxy]-phenylphosphoryl]benzene?
The canonical SMILES for [[(1R)-1-cyclohexylethoxy]-phenylphosphoryl]benzene is C[C@@H](OP(=O)(c1ccccc1)c1ccccc1)C1CCCCC1.
What is the InChIKey of [[(1R)-1-cyclohexylethoxy]-phenylphosphoryl]benzene?
The InChIKey is VPICAEYQFFCRQM-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H25O2P/c1-17(18-11-5-2-6-12-18)22-23(21,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h3-4,7-10,13-18H,2,5-6,11-12H2,1H3/t17-/m1/s1.
What are the key properties of [[(1R)-1-cyclohexylethoxy]-phenylphosphoryl]benzene?
[[(1R)-1-cyclohexylethoxy]-phenylphosphoryl]benzene has a molecular weight of 328.39 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[(1R)-1-cyclohexylethoxy]-phenylphosphoryl]benzene is sourced from PubChem (CID 102079249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).