[(E)-3-[cyclohexyloxy(ethyl)phosphoryl]prop-1-enyl]benzene

C17H25O2P — CID 164671867

IUPAC[(E)-3-[cyclohexyloxy(ethyl)phosphoryl]prop-1-enyl]benzene
SMILESCC[P@@](=O)(C/C=C/c1ccccc1)OC1CCCCC1
InChIInChI=1S/C17H25O2P/c1-2-20(18,19-17-13-7-4-8-14-17)15-9-12-16-10-5-3-6-11-16/h3,5-6,9-12,17H,2,4,7-8,13-15H2,1H3/b12-9+/t20-/m0/s1
InChIKeyNRACGRJIRLMPFC-JTPHSUOKSA-N
MW292.36 g/mol
LogP5.35
Rot. Bonds6

About [(E)-3-[cyclohexyloxy(ethyl)phosphoryl]prop-1-enyl]benzene

[(E)-3-[cyclohexyloxy(ethyl)phosphoryl]prop-1-enyl]benzene (PubChem CID 164671867) has the molecular formula C17H25O2P and a molecular weight of 292.36 g/mol. Its IUPAC name is [(E)-3-[cyclohexyloxy(ethyl)phosphoryl]prop-1-enyl]benzene.

Molecular Properties

Compound Name[(E)-3-[cyclohexyloxy(ethyl)phosphoryl]prop-1-enyl]benzene
PubChem CID164671867
Molecular FormulaC17H25O2P
Molecular Weight292.36 g/mol
Exact Mass292.16
IUPAC Name[(E)-3-[cyclohexyloxy(ethyl)phosphoryl]prop-1-enyl]benzene
SMILESCC[P@@](=O)(C/C=C/c1ccccc1)OC1CCCCC1
InChIInChI=1S/C17H25O2P/c1-2-20(18,19-17-13-7-4-8-14-17)15-9-12-16-10-5-3-6-11-16/h3,5-6,9-12,17H,2,4,7-8,13-15H2,1H3/b12-9+/t20-/m0/s1
InChIKeyNRACGRJIRLMPFC-JTPHSUOKSA-N
XLogP5.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.36
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E)-3-cyclohexylprop-1-enyl]benzene
CID 22325167
2-cyclohexyloxyethenylbenzene
CID 67017506
[ethyl(methyl)phosphoryl]oxycyclohexane
CID 66729701
2-(2-cyclohexyloxyethoxy)ethenylbenzene
CID 69034794
benzene;but-1-enylbenzene
CID 157481332
2-aminoacetic acid;[(Z)-but-1-enyl]benzene;N-propylcyclohexanamine
CID 145176296
[(E)-3-diethynoxyphosphorylprop-1-enyl]benzene
CID 59795587
oct-1-enylbenzene;phosphoric acid
CID 159316508
N-ethyl-N-(3-phenylprop-2-enyl)cyclopropanecarboxamide
CID 76600124
tert-butylperoxycyclohexane;ethylbenzene
CID 175601662
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
(E)-2-cyclopentyl-5-phenylpent-4-enoic acid
CID 112569291

Frequently Asked Questions

What is the IUPAC name of [(E)-3-[cyclohexyloxy(ethyl)phosphoryl]prop-1-enyl]benzene?
The IUPAC name of [(E)-3-[cyclohexyloxy(ethyl)phosphoryl]prop-1-enyl]benzene (CID 164671867) is [(E)-3-[cyclohexyloxy(ethyl)phosphoryl]prop-1-enyl]benzene.
What is the SMILES notation for [(E)-3-[cyclohexyloxy(ethyl)phosphoryl]prop-1-enyl]benzene?
The canonical SMILES for [(E)-3-[cyclohexyloxy(ethyl)phosphoryl]prop-1-enyl]benzene is CC[P@@](=O)(C/C=C/c1ccccc1)OC1CCCCC1.
What is the InChIKey of [(E)-3-[cyclohexyloxy(ethyl)phosphoryl]prop-1-enyl]benzene?
The InChIKey is NRACGRJIRLMPFC-JTPHSUOKSA-N. The full InChI is InChI=1S/C17H25O2P/c1-2-20(18,19-17-13-7-4-8-14-17)15-9-12-16-10-5-3-6-11-16/h3,5-6,9-12,17H,2,4,7-8,13-15H2,1H3/b12-9+/t20-/m0/s1.
What are the key properties of [(E)-3-[cyclohexyloxy(ethyl)phosphoryl]prop-1-enyl]benzene?
[(E)-3-[cyclohexyloxy(ethyl)phosphoryl]prop-1-enyl]benzene has a molecular weight of 292.36 g/mol, XLogP of 5.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-[cyclohexyloxy(ethyl)phosphoryl]prop-1-enyl]benzene is sourced from PubChem (CID 164671867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).