[[(E)-hex-1-enyl]-phenoxyphosphoryl]oxybenzene

C18H21O3P — CID 134934628

IUPAC[[(E)-hex-1-enyl]-phenoxyphosphoryl]oxybenzene
SMILESCCCC/C=C/P(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C18H21O3P/c1-2-3-4-11-16-22(19,20-17-12-7-5-8-13-17)21-18-14-9-6-10-15-18/h5-16H,2-4H2,1H3/b16-11+
InChIKeyXHBJUNASQHXYGK-LFIBNONCSA-N
MW316.34 g/mol
LogP6.04
Rot. Bonds8

About [[(E)-hex-1-enyl]-phenoxyphosphoryl]oxybenzene

[[(E)-hex-1-enyl]-phenoxyphosphoryl]oxybenzene (PubChem CID 134934628) has the molecular formula C18H21O3P and a molecular weight of 316.34 g/mol. Its IUPAC name is [[(E)-hex-1-enyl]-phenoxyphosphoryl]oxybenzene.

Molecular Properties

Compound Name[[(E)-hex-1-enyl]-phenoxyphosphoryl]oxybenzene
PubChem CID134934628
Molecular FormulaC18H21O3P
Molecular Weight316.34 g/mol
Exact Mass316.12
IUPAC Name[[(E)-hex-1-enyl]-phenoxyphosphoryl]oxybenzene
SMILESCCCC/C=C/P(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C18H21O3P/c1-2-3-4-11-16-22(19,20-17-12-7-5-8-13-17)21-18-14-9-6-10-15-18/h5-16H,2-4H2,1H3/b16-11+
InChIKeyXHBJUNASQHXYGK-LFIBNONCSA-N
XLogP6.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.34
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

diphenyl hydrogen phosphate;hept-2-ene
CID 160671397
(E)-1-dimethoxyphosphorylhex-1-ene
CID 12571366
(E)-1-dimethoxyphosphoryltetracont-1-ene
CID 21315282
[butyl(propyl)phosphoryl]oxybenzene
CID 23081695
but-1-enyl(phenoxy)phosphinic acid
CID 139802043
[hydroxy(phenoxy)phosphoryl] octadec-9-enoate
CID 67107887
[(3Z)-octa-1,3-dienyl]benzene
CID 154692518
[butyl(methoxy)phosphoryl]oxybenzene
CID 125474824
hexyl diphenyl phosphate
CID 13389453
phenoxy(undecyl)phosphinic acid
CID 87383274
heptyl pentyl phenyl phosphate
CID 21454681
oct-1-enylbenzene;phosphoric acid
CID 159316508

Frequently Asked Questions

What is the IUPAC name of [[(E)-hex-1-enyl]-phenoxyphosphoryl]oxybenzene?
The IUPAC name of [[(E)-hex-1-enyl]-phenoxyphosphoryl]oxybenzene (CID 134934628) is [[(E)-hex-1-enyl]-phenoxyphosphoryl]oxybenzene.
What is the SMILES notation for [[(E)-hex-1-enyl]-phenoxyphosphoryl]oxybenzene?
The canonical SMILES for [[(E)-hex-1-enyl]-phenoxyphosphoryl]oxybenzene is CCCC/C=C/P(=O)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of [[(E)-hex-1-enyl]-phenoxyphosphoryl]oxybenzene?
The InChIKey is XHBJUNASQHXYGK-LFIBNONCSA-N. The full InChI is InChI=1S/C18H21O3P/c1-2-3-4-11-16-22(19,20-17-12-7-5-8-13-17)21-18-14-9-6-10-15-18/h5-16H,2-4H2,1H3/b16-11+.
What are the key properties of [[(E)-hex-1-enyl]-phenoxyphosphoryl]oxybenzene?
[[(E)-hex-1-enyl]-phenoxyphosphoryl]oxybenzene has a molecular weight of 316.34 g/mol, XLogP of 6.04, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[(E)-hex-1-enyl]-phenoxyphosphoryl]oxybenzene is sourced from PubChem (CID 134934628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).