[2-cyclohexylideneethyl(phenyl)phosphoryl]benzene

C20H23OP — CID 57014590

IUPAC[2-cyclohexylideneethyl(phenyl)phosphoryl]benzene
SMILESO=P(CC=C1CCCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23OP/c21-22(19-12-6-2-7-13-19,20-14-8-3-9-15-20)17-16-18-10-4-1-5-11-18/h2-3,6-9,12-16H,1,4-5,10-11,17H2
InChIKeyIMDIJIVOMGTLIW-UHFFFAOYSA-N
MW310.38 g/mol
LogP4.89
Rot. Bonds4

About [2-cyclohexylideneethyl(phenyl)phosphoryl]benzene

[2-cyclohexylideneethyl(phenyl)phosphoryl]benzene (PubChem CID 57014590) has the molecular formula C20H23OP and a molecular weight of 310.38 g/mol. Its IUPAC name is [2-cyclohexylideneethyl(phenyl)phosphoryl]benzene.

Molecular Properties

Compound Name[2-cyclohexylideneethyl(phenyl)phosphoryl]benzene
PubChem CID57014590
Molecular FormulaC20H23OP
Molecular Weight310.38 g/mol
Exact Mass310.15
IUPAC Name[2-cyclohexylideneethyl(phenyl)phosphoryl]benzene
SMILESO=P(CC=C1CCCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23OP/c21-22(19-12-6-2-7-13-19,20-14-8-3-9-15-20)17-16-18-10-4-1-5-11-18/h2-3,6-9,12-16H,1,4-5,10-11,17H2
InChIKeyIMDIJIVOMGTLIW-UHFFFAOYSA-N
XLogP4.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-cyclohexylideneethyl(phenyl)phosphoryl]benzene?
The IUPAC name of [2-cyclohexylideneethyl(phenyl)phosphoryl]benzene (CID 57014590) is [2-cyclohexylideneethyl(phenyl)phosphoryl]benzene.
What is the SMILES notation for [2-cyclohexylideneethyl(phenyl)phosphoryl]benzene?
The canonical SMILES for [2-cyclohexylideneethyl(phenyl)phosphoryl]benzene is O=P(CC=C1CCCCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-cyclohexylideneethyl(phenyl)phosphoryl]benzene?
The InChIKey is IMDIJIVOMGTLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23OP/c21-22(19-12-6-2-7-13-19,20-14-8-3-9-15-20)17-16-18-10-4-1-5-11-18/h2-3,6-9,12-16H,1,4-5,10-11,17H2.
What are the key properties of [2-cyclohexylideneethyl(phenyl)phosphoryl]benzene?
[2-cyclohexylideneethyl(phenyl)phosphoryl]benzene has a molecular weight of 310.38 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclohexylideneethyl(phenyl)phosphoryl]benzene is sourced from PubChem (CID 57014590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).