[hexyl(phenyl)phosphoryl]benzene

C18H23OP — CID 10880678

IUPAC[hexyl(phenyl)phosphoryl]benzene
SMILESCCCCCCP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23OP/c1-2-3-4-11-16-20(19,17-12-7-5-8-13-17)18-14-9-6-10-15-18/h5-10,12-15H,2-4,11,16H2,1H3
InChIKeyJAGMIDWNYDXFLD-UHFFFAOYSA-N
MW286.36 g/mol
LogP4.58
Rot. Bonds7

About [hexyl(phenyl)phosphoryl]benzene

[hexyl(phenyl)phosphoryl]benzene (PubChem CID 10880678) has the molecular formula C18H23OP and a molecular weight of 286.36 g/mol. Its IUPAC name is [hexyl(phenyl)phosphoryl]benzene.

Molecular Properties

Compound Name[hexyl(phenyl)phosphoryl]benzene
PubChem CID10880678
Molecular FormulaC18H23OP
Molecular Weight286.36 g/mol
Exact Mass286.15
IUPAC Name[hexyl(phenyl)phosphoryl]benzene
SMILESCCCCCCP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23OP/c1-2-3-4-11-16-20(19,17-12-7-5-8-13-17)18-14-9-6-10-15-18/h5-10,12-15H,2-4,11,16H2,1H3
InChIKeyJAGMIDWNYDXFLD-UHFFFAOYSA-N
XLogP4.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [hexyl(phenyl)phosphoryl]benzene?
The IUPAC name of [hexyl(phenyl)phosphoryl]benzene (CID 10880678) is [hexyl(phenyl)phosphoryl]benzene.
What is the SMILES notation for [hexyl(phenyl)phosphoryl]benzene?
The canonical SMILES for [hexyl(phenyl)phosphoryl]benzene is CCCCCCP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [hexyl(phenyl)phosphoryl]benzene?
The InChIKey is JAGMIDWNYDXFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23OP/c1-2-3-4-11-16-20(19,17-12-7-5-8-13-17)18-14-9-6-10-15-18/h5-10,12-15H,2-4,11,16H2,1H3.
What are the key properties of [hexyl(phenyl)phosphoryl]benzene?
[hexyl(phenyl)phosphoryl]benzene has a molecular weight of 286.36 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [hexyl(phenyl)phosphoryl]benzene is sourced from PubChem (CID 10880678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).